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Isotopically Labeled Compounds

Isotopic Calibration Sources

NMR Solvents

$0~$10(0)
$10~$25(2)
$25~$50(27)
$50~$75(51)
$75~$100(44)
$100~$200(117)
$200~$300(97)
$300~$400(48)
$400~$500(67)
$500~$750(79)
$750~$1000(31)
$1000~$5000(62)
$5000~$10000(1)
$10000~$50000(0)
$50000~$100000(0)
$100000~$3000000(0)

Beilstein Reference

01, IV, 39

01, IV, 54

01, III, 164

02, IV, 428

01, III, 1187

01, III, 2741

01, IV, 1279

05, IV, 797

Boiling Point

101.4°C

146.0°C

77-80 C (lit.)

60.0°C

153°C

100.0°C

101.4°C

56°C

62°C

65.0°C

79.0°C to 81.0°C

190.0°C

110.0°C

59°C

190.0°C

40.0°C

60.0°C

190°C

55.0°C

108.0°C

CAS Registry Number 1

1455-13-6

2206-26-0

1665-00-5

1693-74-9

811-98-3

865-49-6

2037-26-5

4472-41-7

33685-54-0

13031-32-8

7789-20-0

666-52-4

7698-05-7

2206-27-1

CAS_NO

12015-14-4

13813-19-9

13983-20-5

100-41-4

1076-43-3

1632-89-9

117121-81-0

1186-52-3

2199-69-1

13031-32-8

14314-42-2

31432-45-8

1693-74-9

17252-77-6

1516-08-1

138079-87-5

15082-28-7

12168-30-8

1641-69-6

13550-49-7

2206-26-0

14335-33-2

66522-78-9

202468-31-3

15681-89-7

1849-29-2

14014-06-3

599-00-8

2067-80-3

1455-13-6

22739-76-0

33685-54-0

2037-26-5

32008-59-6

32767-18-3

6485-58-1

7698-05-7

77704-22-4

66178-41-4

57654-83-8

2206-27-1

110187-42-3

39466-62-1

29817-79-6

43086-58-4

1735-17-7

14742-26-8

4604-41-5

865-49-6

87081-58-1

1665-00-5

24572-01-8

34830-11-0

4227-95-6

925-93-9

666-52-4

7325-17-9

4472-41-7

14258-72-1

7782-39-0

811-98-3

7291-22-7

7789-20-0

40762-22-9

865-50-9

1111-72-4

13587-52-5

ChEBI

CHEBI:85365

CHEBI:78217

CHEBI:41981

Chemical Name or Material

1,1,2,2-Tetrachloroethane-d2

Acetonitrile-d3

Deuterium oxide

Methanol-d

Chloroform-d

N, N-Dimethylformamide-d7

Acetone-d6

Dichloromethane-d2

Dimethyl Sulfoxide-d6

Methanol-d4

Methyl sulfoxide-d6

Toluene-d8

Tetrahydrofuran-d8

Deuterium chloride

Chemical Substance ID

24850540

24850585

24851108

24850601

24867660

24848854

24849176

24850581

24851220

24852210

24857841

24857895

24857840

24859452

24849177

24849168

24849172

24849189

24849182

24849188

24868142

24850545

24851409

24849165

24849185

24850529

24850598

24850600

24867214

24850697

24856739

24857630

24880584

24860811

24861211

24861578

24859968

24860023

24874846

24863002

24862443

24863032

24866469

24864602

24868149

24868115

24862442

24868766

24864278

24848856

24868252

24868344

24874128

24877753

24849171

24850536

24850599

24881829

24853521

24872890

24879126

24861984

24862270

24862444

24866460

24867193

24867392

24866686

24867658

329763657

24881981

24849186

24850594

24849183

24856740

24858029

24850520

24850534

24850596

24853971

24867055

24859045

24872416

24861205

24862666

24863146

24877931

24864235

24891944

24848852

24849167

24849174

24849647

24850587

24850589

24851410

24853968

24866441

24866732

24868585

24872117

24872415

24872601

24877933

24880585

24881936

329759658

Density

0.8440g/mL

0.9400g/mL

1.50 g/mL

1.1050g/mL

0.9800g/mL

0.8700g/mL

1.1900g/mL

0.8100g/mL

1.1050 g/mL

1.2000g/mL

0.8880g/mL

1.5000g/mL

1.18 g/mL

1.3600g/mL

1.6100g/mL

Concentration

2% in chloroform-d (99.8 atom % D)

50% in chloroform-d (99.8 atom % D)

Concentration

Contains 0.03% v/v TMS

Color

Colorless

Deuterium D

99.60% min.

99.75% min.

99.80% min.

99.4% min.

99.0% min.

99.95% min.

99.50% min.

99.8% min. (NMR)

99.85% min.

98.5% min.

EC Number

217-077-3

218-616-5

234-607-9

251-634-1

211-563-9

212-742-4

212-378-6

252-232-9

216-776-0

218-606-0

235-892-2

215-933-0

245-189-2

232-148-9

237-464-0

239-764-7

241-285-3

209-961-2

218-009-5

231-159-6

236-926-9

266-389-6

214-693-4

216-162-2

218-617-0

237-773-0

239-135-7

213-128-9

214-061-8

217-435-9

221-482-0

230-720-2

239-122-6

EINECS Number

212-742-4

211-563-9

216-898-4

215-933-0

224-745-8

218-009-5

218-617-0

232-148-9

251-634-1

216-776-0

254-091-9

DOT Information

Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: CHLOROFORM

Fieser Reference

13,124; 16,177

Flash Point

-20°C

4°C

88°C (190°F)

2°C

88°C

12°C

58°C

Formula

¹³C₂C₄H₁₂O₆

(¹⁵NH₄)₂SO₄

(DOCD₂)₂CDOD

C₂H₅OD

¹⁵NH₄Cl

¹³CO₂

¹⁵N₂

C3D6O

CF₃COOD

D₂

¹³CH₃OH

⁶Li

CD₃CD₂OD

¹¹B₂O₃

DNO₃

C₁₄D₁₀

NaBD₄

ND₄Cl

C₆D₄(CD₃)₂

C₆D₅CD₃

C₆D₁₁OD

C₆D₁₂

C2D6OS

CD₂Cl₂

CD₃CN

CD₃OD

C₆D₆

¹³CC₅H₁₂O₆

¹³CH₃I

KOD

CD₃NO₂

CF₃SO₃D

(CD₂O)_n

Cl₂CDCDCl₂

H₂¹⁵NCO¹⁵NH₂

K¹⁵NO₃

NaOD / D₂O

CD₃CD(OD)CD₃

CD₃I

CD₃OH

ND₄OD

C₂₄H₂₂N₂O

CD₃(CD₂)₆CD₃

CD₃CDO

¹³CO

D₂SO₄/D₂O

CD₃CD₂I

D₂O

H₂¹⁸O

C₆D₄Cl₂

CCl3D

CD₃COCD₃

CH₃OD

DCON(CD₃)₂

¹³C₆H₁₂O₆

ND₃

(CD₃)₂SO

¹³C

⁶Li₂CO₃

⁶LiOH·H₂O

C₁₀D₈

C₄D₈O

CD₃(CD₂)₁₄CO₂H

CD₃CO₂D

CDCl₃

D₃PO₄

H₂N¹³CH₂¹³CO₂H

Na¹⁵NO₃

NaBD₃CN

NaH¹³CO₃

Format

single component solution

Formula Weight

44.07

84.17

120.39

64.13

37.47

33.05

120.38

86.95

169.86

20.02

36.06

100.21

84.18

80.15

Formula Weight

80.17

Health Hazard 2

GHS H Statement
H351-H373-H302-H315
Suspected of causing cancer.
May cause damage to organs through prolonged or repeated exposure.
Harmful if swallowed.
Causes skin irritation.

GHS H Statement
Harmful if swallowed. Harmful if inhaled. Causes skin irritation. Causes serious eye irritation. Suspected of causing cancer. May cause damage to organs through prolonged or repeated exposure if inhaled. May cause drowsiness or

GHS H Statement:
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

GHS H Statement:
Harmful in contact with skin.
Harmful if inhaled.
Harmful if swallowed.
Causes serious eye irritation.
Highly flammable liquid and vapor.

GHS H Statement:
Causes serious eye irritation.
May cause drowsiness or dizziness.
Highly flammable liquid and vapor.
Repeated exposure may cause skin dryness or cracking.

GHS H Statement:
Highly flammable liquid and vapour.
Causes serious eye irritation.
May cause respiratory irritation.
May form explosive peroxides.

GHS H Statement:

Harmful if swallowed.

Causes serious eye irritation.

Harmful in contact with skin.

Harmful if inhaled.

May damage the unborn child.

Flammable liquid and vapor.

GHS H Statement:
Causes damage to organs.
Toxic if swallowed.
Toxic in contact with skin.
Toxic if inhaled.
Highly flammable liquid and vapor.

GHS H Statement:

Causes damage to organs.

Toxic if swallowed.

Toxic in contact with skin.

Toxic if inhaled.

Highly flammable liquid and vapor.

GHS H Statement:
Causes severe skin burns and eye damage.

GHS H Statement:
Causes skin irritation.
May be fatal if swallowed and enters airways.
May cause drowsiness or dizziness.
May cause damage to organs through prolonged or repeated exposure.
Suspected of damaging the unborn child

GHS H Statement:
Fatal if inhaled.
Fatal in contact with skin.
Toxic to aquatic life with long lasting effects.

GHS H Statement:
Suspected of causing cancer.

Health Hazard 3

P210-P280-P370+P378q-P501c

GHS P Statement:
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact

GHS P Statement:
Wear protective gloves/protective clothing/eye protection/face protection.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to t

GHS P Statement:
Wear protective gloves/protective clothing/eye protection/face protection.
IF ON SKIN: Wash with plenty of soap and water.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
IF INHALED: Remo

GHS P Statement:
Immediately call a POISON CENTER or doctor/physician.
IF exposed: Call a POISON CENTER or doctor/physician.
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Keep away

GHS P Statement:
Avoid breathing dust/fume/gas/mist/vapors/spray.
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present

GHS P Statement:
Use personal protective equipment as required.
Avoid breathing dust/fume/gas/mist/vapors/spray.
Do not breathe dust/fume/gas/mist/vapors/spray.
IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician.

GHS P Statement:
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Ground/Bond container and receiving equipment.

WARNING: The

GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF ON SKIN: Wash with plenty of soap and water. Take off contaminated clothin

P201-P202-P210-P233-P240-P241-P242-P243-P261-P264b-P271-P280i-P281-P303+P361+P353-P304+P340-P305+P351+P338-P308+P313-P312-P363-P370+P378q-P501c

P210-P233-P235-P240-P241-P242-P243-P260-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P314-P370+P378q-P501c

GHS P Statement:
Wear protective gloves/protective clothing/eye protection/face protection.
Remove/Take off immediately all contaminated clothing.
IF ON SKIN: Gently wash with plenty of soap and water.
Immediately call a POISON CEN

GHS P Statement:

Keep away from heat/sparks/open flames/hot surfaces. - No smoking.

Wear protective gloves/protective clothing/eye protection/face protection.

IF IN EYES: Rinse cautiously with water for several minutes. Rem

P201-P202-P260-P264b-P270-P271-P280i-P281-P301+P312-P302+P352-P304+P340-P305+P351+P338-P308+P313-P311-P330-P332+P313-P362-P501c

GHS P Statement:
Use personal protective equipment as required.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, in

Grade

NMR Reference Standard

NMR

Health Hazard 1

Danger

HYGROSCOPIC

H302-H315-H319-H331-H336-H351-H361d-H372

GHS Signal Word: Danger

GHS Signal Word: Warning

Warning

H227

H-Codes

H302 - H315 - H319 - H331 - H336 - H351 - H361d - H372 - H412

H225-H319-H336-H351-H373

InChIKey

VEXZGXHMUGYJMC-FTGQXOHASA-N

WYURNTSHIVDZCO-SVYQBANQSA-N

XLYOFNOQVPJJNP-ZSJDYOACSA-N

OKKJLVBELUTLKV-VMNATFBRSA-N

WEVYAHXRMPXWCK-FIBGUPNXSA-N

IAZDPXIOMUYVGZ-WFGJKAKNSA-N

ZMXDDKWLCZADIW-YYWVXINBSA-N

BYEAHWXPCBROCE-AWPANEGFSA-N

HEMHJVSKTPXQMS-DYCDLGHISA-M

LYGJENNIWJXYER-FIBGUPNXSA-N

OKKJLVBELUTLKV-MZCSYVLQSA-N

CSCPPACGZOOCGX-WFGJKAKNSA-N

HEDRZPFGACZZDS-MICDWDOJSA-N

YXFVVABEGXRONW-JGUCLWPXSA-N

YMWUJEATGCHHMB-DICFDUPASA-N

QPFMBZIOSGYJDE-QDNHWIQGSA-N

IOD-Codes

Xn,N

F,Xn

IUPAC Name

(-–G–)oxolane

deuteriooxymethane

1,1,2,2-tetrachloro-1,2-dideuterioethane

1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene

(-?HG??)methan(-?H)ol

2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane

trichloro(deuterio)methane

[(-?H)oxy](-?H)

(-?HG??)methanesulfinyl(-?HG??)methane

N,N-di(-?HG??)methyl(-?H)formamide

1,1,1,3,3,3-hexadeuteriopropan-2-one

1-deuterio-N,N-bis(trideuteriomethyl)formamide

dichloro(dideuterio)methane

trideuterio(deuteriooxy)methane

2,2,2-trideuterioacetonitrile

trideuterio(trideuteriomethylsulfinyl)methane

2,2,3,3,4,4,5,5-octadeuteriooxolane

Isotopic Labels

Deuterated

Item Class Description

Reagents

MDL Number

MFCD00000784

MFCD00003011

MFCD00006571

MFCD00037545

MFCD00037666

MFCD00044214

MFCD00051020

MFCD00059016

MFCD00064508

MFCD00075417

MFCD00084153

MFCD00084251

MFCD00084621

MFCD00134252

MFCD00144375

MFCD00151271

MFCD00190459

MFCD01075447

MFCD00001092

MFCD00001743

MFCD00037672

MFCD00051052

MFCD00053335

MFCD00069943

MFCD00084155

MFCD00084232

MFCD00144262

MFCD00145077

MFCD00145093

MFCD00000827

MFCD00002090

MFCD00037106

MFCD00037559

MFCD00037699

MFCD00044235

MFCD00044642

MFCD00064344

MFCD00064398

MFCD00064502

MFCD00064812

MFCD00084078

MFCD00084119

MFCD00142881

MFCD17015237

MFCD00003286

MFCD00003292

MFCD00003519

MFCD00005309

MFCD01075561

MFCD01075604

MFCD01321393

MFCD00011647

MFCD00037366

MFCD00037667

MFCD00037668

MFCD00044213

MFCD00044234

MFCD00044563

MFCD00059017

MFCD00062744

MFCD00064513

MFCD00074856

MFCD00082257

MFCD00084213

MFCD00084227

MFCD00142381

MFCD00144590

MFCD00144688

MFCD00145506

MFCD00190252

MFCD00190503

MFCD00209792

MFCD01075450

MFCD01075599

MFCD01863723

MFCD04113754

MFCD00000826

MFCD00002400

MFCD00002791

MFCD00003542

MFCD00037549

MFCD00037595

MFCD00044238

MFCD00053341

MFCD00075589

MFCD00078666

MFCD00083894

MFCD00083950

MFCD00084080

MFCD00144127

MFCD00144372

MFCD00144596

MFCD00151499

MFCD00190428

MFCD00198017

MFCD01074030

MFCD00000882

MFCD00001074

MFCD00001241

MFCD00002737

MFCD00002966

MFCD00003517

MFCD00037544

MFCD00037626

MFCD00037669

MFCD00053329

MFCD09842671

MFCD00064399

MFCD00002144

MFCD00002623

MFCD00003298

MFCD00074894

MFCD00001498

MFCD00082554

MFCD00084117

MFCD00084176

MFCD00003010

MFCD00142898

MFCD00000169

MFCD00000281

MFCD00002559

MFCD00003392

MFCD00003560

MFCD00197704

MFCD00198158

MFCD00209757

MFCD00044638

MFCD00044669

MFCD01075573

MFCD00037367

MFCD00084074

MFCD00084081

MFCD00044233

MFCD00143675

MFCD00144621

MFCD00144634

MFCD00144708

MFCD00144868

MFCD00044231

MFCD00044636

MFCD00064511

MFCD00055786

MFCD00069967

MFCD00075579

MFCD00064167

MFCD00083868

MFCD00084102

MFCD00084147

MFCD00084181

MFCD00084253

MFCD00084036

MFCD00084109

MFCD00084149

MFCD00192252

MFCD00209804

MFCD00143529

MFCD00143876

MFCD00144373

MFCD00145070

MFCD00145336

MFCD00148962

MFCD00000531

MFCD00001075

MFCD00001881

MFCD00003101

MFCD01075557

MFCD01863378

MFCD00037531

MFCD00000056

MFCD00002758

MFCD00039418

MFCD18827467

MFCD00044230

MFCD00044341

MFCD00044344

MFCD00044415

MFCD00044639

MFCD00051051

MFCD00055877

MFCD00064569

MFCD00074796

MFCD00074803

MFCD00075191

MFCD00082562

MFCD00083968

MFCD00084061

MFCD00084142

MFCD00084148

MFCD00084240

MFCD00144663

MFCD00144666

MFCD00144893

MFCD00145527

MFCD00190300

MFCD00197703

MFCD00004672

MFCD04126430

MFCD00037562

MFCD00044422

MFCD00044637

MFCD00064427

MFCD20489349

MFCD00083966

MFCD00044212

MFCD00044635

MFCD00064503

MFCD00075049

MFCD00144080

MFCD00190440

Linear Formula

(CD₃)₂SO

DCON(CD3)2

CD3OD

CDCl₃

(Cl2CD)2

C6D5CD3

C8H10

NaOD

CDCl3

(CD3)2SO

CD3CN

CD3COCD3

CF3CH2OH

CH3OD

DCl

CD3NO2

D2O

CD2Cl2

Melting Point

-94°C

-97.0°C

3.8°C

-64°C

-84.0°C

-64.0°C

20.2°C

-93.0°C

-4°C

20.2°C

-106.0°C

-64.0°C

20°C

-46.0°C

-99.0°C

MFCD Number

MFCD00003286

MFCD00037669

MFCD00000827

MFCD00000882

MFCD00044637

MFCD00037672

MFCD00037559

MFCD00044213

MFCD00044642

MFCD00001881

MFCD00044636

MFCD00002090

MFCD00044238

MFCD00044635

MFCD00044638

items per unit of measure

60 mL

Molecular Weight

44.07

84.17

0.0

101.01

102.10

112.20

151.08

170.16

194.11

32.04

341.24

100.04

122.13

61.05

62.03

150.20

152.16

69.01

80.10

85.00

86.94

17.04

181.15

209.26

30.04

20.03

64.12

100.26

101.13

135.98

139.20

453.65

164.42

171.15

184.47

20.02

20.07

6.02

61.04

64.01

64.058

64.117

68.10

85.99

268.83

100.07

100.14

112.27

30.00

115.03

117.28

121.09

122.11

128.14

132.27

138.12

36.066

36.07

37.47

389.70

41.00

187.20

20.03

120.38

142.93

20.05

80.138

80.156

96.23

100.09

106.17

151.03

153.09

169.86

29.00

169.85

3.02

35.06

44.07

57.11

57.52

61.06

33.048

33.05

64.06

893.66

48.08

47.03

64.02

64.08

84.166

96.15

120.38

40.08

41.86

54.48

64.12

84.15

86.939

100.19

111.04

161.00

188.29

36.00

36.46

4.03

44.071

354.44

46.03

52.11

83.03

70.02

84.13

120.375

132.34

186.11

45.00

525.08

62.04

68.14

80.14

90.09

112.23

116.23

134.13

144.96

182.14

47.07

80.16

84.17

Molecular Formula

C3H7NO

CHCl3

C7H8

C2H6OS

C4H8O

C2H2Cl4

ClH

C3H6O

CH2Cl2

C2H3N

CH4O

H2O

Name Note

100.0 atom % D

99 atom % D

99.8 atom % D

99.9 atom% D

99.9 atom % D

Isotopic

99+ atom % D

99.5+ atom % D

99.6+ atom % D

99.5 atom % D

For NMR, 99.8 atom % D

99.8 atom%D

99.0 atom % D

Packaging

Ampule

AcroSeal Glass Bottle

Glass Bottle

Prescored Ampules

Molecular Weight

186.21

20.027

33.03

Merck Index Reference

15, 2942

Packaging Layout

1 pkg in ampule

Pub Chem CID

123151

24602

71568

80290

522634

74861

71583

160586

522220

118531

123113

75151

78225

Quantity

25 mL

50mL

5 x 1g

10g

50g

10mL

Quantity

5mL

25mL

7.5mL

100mL

R-CODES

63-20/22-36/38-40-48/20

Recommended Storage

Ambient temperatures

Ambient temperatures; Store under Nitrogen

Keep cold; Store under Nitrogen

Refractive Index

1.3726

1.494

1.4218

1.3430 to 1.3450

1.328

1.3262

1.476

1.428

1.4445

1.4924

RIDADR

UN 1888 6.1 / PGIII

S-Codes

26-36/37

Sensitivity

Light and moisture sensitive

Hygroscopic

Size

5 mm O.D. tube contains 0.700 mL.

P-CODES

P201 - P273 - P301 + P312 + P330 - P302 + P352 - P304 + P340 + P311 - P308 + P313

Percent Purity

99.8%

99.9%

SMILES

CC(=O)C

CC#N

CS(=O)C

CC1=CC=CC=C1

C1CCOC1

C(Cl)Cl

CN(C)C=O

[2H]O[2H]

C(C(Cl)Cl)(Cl)Cl

C(Cl)(Cl)Cl

Solubility Information

Miscible with organic solvents,ethyl acetate and acetone.

Solubility in water: miscible, exothermic reaction.

Solubility aq. soln.: miscible, exothermic reaction.

Soluble in water.

Specific Gravity

1.19

1.105

Synonym

acetone-d6

heavy water-d2

acetonitrile-2,2,2-d3

deuterated chloroform

2h chloroform

deuterated tetrahydrofuran

methane-d, trichloro

chloroform, deutero

methane-d2, dichloro

deuterochloroform

2h8 toluene

dimethyl-d6 sulfoxide

hexadeuterodimethyl sulfoxide

Signal Word

Danger

Target Organs

Central nervous system

RTECS Number

ZC0230000

Viscosity

0.39 mPa.s (20°C)

2.4 mPa.s (20°C)

1.25 mPa.s (20°C)

TSCA

Not on TSCA inventory: for R and D use only; not for manufacturing or commercial purposes.

Physical Form

Liquid

Pictogram

GHS06,GHS08

Water

0.03% max. (Coulometric)

0.06% max. (Coulometric)

0.05% max. (Coulometric)

0.1% max. (Coulometric)

0.01% max. (coulometric)

0.02% max. (Coulometric)

UN Number

1230

UN1888

Water

0.03% Max. (K.F.)

Storage Note1

2°C to 8°C

WGK

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