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Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.
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76 – 90 of 2,672 results
76

Sodium deuteroxide, for NMR, 40 wt% solution in D2O, 99+ atom % D

CAS: 14014-06-3 Molecular Formula: HNaO Molecular Weight (g/mol): 41.003 MDL Number: MFCD00037669 InChI Key: HEMHJVSKTPXQMS-DYCDLGHISA-M Synonym: sodium deuteroxide,sodium hydroxide na od,sodium deuteroxide, 40 wt% in deuterium oxide,naod,sodium hydroxide-d,sodium deuteroxide solution,sodium deuteroxide, 1 m in deuterium oxide,sodium deuteroxide, 0.1 m in deuterium oxide,sodium deuteroxide, 30 wt% in deuterium oxide,sodium hydroxide na od 6ci,7ci,8ci,9ci PubChem CID: 23676750 SMILES: [OH-].[Na+]

PubChem CID 23676750
CAS 14014-06-3
Molecular Weight (g/mol) 41.003
MDL Number MFCD00037669
SMILES [OH-].[Na+]
Synonym sodium deuteroxide,sodium hydroxide na od,sodium deuteroxide, 40 wt% in deuterium oxide,naod,sodium hydroxide-d,sodium deuteroxide solution,sodium deuteroxide, 1 m in deuterium oxide,sodium deuteroxide, 0.1 m in deuterium oxide,sodium deuteroxide, 30 wt% in deuterium oxide,sodium hydroxide na od 6ci,7ci,8ci,9ci
InChI Key HEMHJVSKTPXQMS-DYCDLGHISA-M
Molecular Formula HNaO
77

N,N-Dimethylformamide-d{7}, 99.5% (Isotopic)

CAS: 4472-41-7 Molecular Formula: C3H7NO Molecular Weight (g/mol): 80.138 MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d PubChem CID: 78225 IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide SMILES: CN(C)C=O

PubChem CID 78225
CAS 4472-41-7
Molecular Weight (g/mol) 80.138
MDL Number MFCD00003286
SMILES CN(C)C=O
Synonym n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d
IUPAC Name 1-deuterio-N,N-bis(trideuteriomethyl)formamide
InChI Key ZMXDDKWLCZADIW-YYWVXINBSA-N
Molecular Formula C3H7NO
78

Formic acid-d2, for NMR, 99+ atom % D, 95% solution in D2O

CAS: 920-42-3 Molecular Formula: CH2O2 Molecular Weight (g/mol): 48.037 MDL Number: MFCD00037363 InChI Key: BDAGIHXWWSANSR-PFUFQJKNSA-N Synonym: formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d PubChem CID: 123092 IUPAC Name: deuterio deuterioformate SMILES: C(=O)O

PubChem CID 123092
CAS 920-42-3
Molecular Weight (g/mol) 48.037
MDL Number MFCD00037363
SMILES C(=O)O
Synonym formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d
IUPAC Name deuterio deuterioformate
InChI Key BDAGIHXWWSANSR-PFUFQJKNSA-N
Molecular Formula CH2O2
79

Ethanol-d6, for NMR, anhydrous, 99 atom % D

CAS: 1516-08-1 Molecular Formula: C2H6O Molecular Weight (g/mol): 52.106 MDL Number: MFCD00051020 InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N Synonym: ethanol-d6,2h6 ethanol,hexadeuteroethanol,2 h? ethan 2 h ol,ethyl-d5 alcohol-d,ethyl alcohol-d6,ethanol d,ethanol-d6 9ci PubChem CID: 102138 IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane SMILES: CCO

PubChem CID 102138
CAS 1516-08-1
Molecular Weight (g/mol) 52.106
MDL Number MFCD00051020
SMILES CCO
Synonym ethanol-d6,2h6 ethanol,hexadeuteroethanol,2 h? ethan 2 h ol,ethyl-d5 alcohol-d,ethyl alcohol-d6,ethanol d,ethanol-d6 9ci
IUPAC Name 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane
InChI Key LFQSCWFLJHTTHZ-LIDOUZCJSA-N
Molecular Formula C2H6O
80

Acetone-d6, for NMR, 99.5 atom % D

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

PubChem CID 522220
CAS 666-52-4
Molecular Weight (g/mol) 64.117
ChEBI CHEBI:78217
MDL Number MFCD00044635
SMILES CC(=O)C
Synonym acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone
IUPAC Name 1,1,1,3,3,3-hexadeuteriopropan-2-one
InChI Key CSCPPACGZOOCGX-WFGJKAKNSA-N
Molecular Formula C3H6O
81

Iodomethane-d3, for NMR, 99+ atom % D

CAS: 865-50-9 Molecular Formula: CH3I Molecular Weight (g/mol): 144.96 MDL Number: MFCD00001074 InChI Key: INQOMBQAUSQDDS-FIBGUPNXSA-N Synonym: iodomethane-d3,iodo 2h3 methane,trideuterio iodo methane,iodo 2 h? methane,methyl-d3 iodide,trideuteromethyl iodide,iodomethane-12c,d3,methyl-12c,d3 iodide,iodoethane-d5 ethyliodid-d5,methyl iodide d3 stored over copper PubChem CID: 2723978 IUPAC Name: trideuterio(iodo)methane SMILES: [2H]C([2H])([2H])I

PubChem CID 2723978
CAS 865-50-9
Molecular Weight (g/mol) 144.96
MDL Number MFCD00001074
SMILES [2H]C([2H])([2H])I
Synonym iodomethane-d3,iodo 2h3 methane,trideuterio iodo methane,iodo 2 h? methane,methyl-d3 iodide,trideuteromethyl iodide,iodomethane-12c,d3,methyl-12c,d3 iodide,iodoethane-d5 ethyliodid-d5,methyl iodide d3 stored over copper
IUPAC Name trideuterio(iodo)methane
InChI Key INQOMBQAUSQDDS-FIBGUPNXSA-N
Molecular Formula CH3I
82

Methanol-d, for NMR, 99.0 atom % D

CAS: 1455-13-6 Molecular Formula: CH4O Molecular Weight (g/mol): 33.048 MDL Number: MFCD00044213 InChI Key: OKKJLVBELUTLKV-VMNATFBRSA-N Synonym: methanol-d,methan 2h ol,methyl alcohol-d,methanol-o-d1,ch3od,deutero methanol, ch 3 od,methanol-d1,methanol d,methan-d-ol,meod PubChem CID: 123113 IUPAC Name: deuteriooxymethane SMILES: CO

PubChem CID 123113
CAS 1455-13-6
Molecular Weight (g/mol) 33.048
MDL Number MFCD00044213
SMILES CO
Synonym methanol-d,methan 2h ol,methyl alcohol-d,methanol-o-d1,ch3od,deutero methanol, ch 3 od,methanol-d1,methanol d,methan-d-ol,meod
IUPAC Name deuteriooxymethane
InChI Key OKKJLVBELUTLKV-VMNATFBRSA-N
Molecular Formula CH4O
83

Toluene-d8, for NMR, 99.5+ atom % D

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: toluene-d8,2h8 toluene,perdeuteriotoluene,benzene-d5, methyl-d3,perdeuterotoluene,benzene-d5-, methyl-d3,1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene,toluene d8,toluene-d8, 99 atom % d,toluene-d8, 99.6 atom % d PubChem CID: 74861 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene SMILES: CC1=CC=CC=C1

PubChem CID 74861
CAS 2037-26-5
Molecular Weight (g/mol) 100.19
MDL Number MFCD00044638
SMILES CC1=CC=CC=C1
Synonym toluene-d8,2h8 toluene,perdeuteriotoluene,benzene-d5, methyl-d3,perdeuterotoluene,benzene-d5-, methyl-d3,1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene,toluene d8,toluene-d8, 99 atom % d,toluene-d8, 99.6 atom % d
IUPAC Name 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
InChI Key YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula C7H8
84

Acetonitrile-d3, for NMR, 99.8 atom% D, AcroSeal™

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.07 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: [2H]C([2H])([2H])C#N

PubChem CID 123151
CAS 2206-26-0
Molecular Weight (g/mol) 44.07
MDL Number MFCD00001881
SMILES [2H]C([2H])([2H])C#N
Synonym acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g
IUPAC Name 2,2,2-trideuterioacetonitrile
InChI Key WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molecular Formula C2H3N
85

Methyl sulfoxide-d6, for NMR, packaged in 1.00 ml ampoules, 99.9 atom % D

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.17 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

PubChem CID 75151
CAS 2206-27-1
Molecular Weight (g/mol) 84.17
MDL Number MFCD00002090
SMILES [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Synonym dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide
IUPAC Name trideuterio(trideuteriomethylsulfinyl)methane
InChI Key IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula C2H6OS
86

Methyl sulfoxide-d6, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D

Molecular Formula: C2D6OS Molecular Weight (g/mol): 84.18

Molecular Weight (g/mol) 84.18
Molecular Formula C2D6OS
87

Acetonitrile-d3, for NMR, contains 1 v/v% TMS, 99 atom % D

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.07 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: [2H]C([2H])([2H])C#N

PubChem CID 123151
CAS 2206-26-0
Molecular Weight (g/mol) 44.07
MDL Number MFCD00001881
SMILES [2H]C([2H])([2H])C#N
Synonym acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g
IUPAC Name 2,2,2-trideuterioacetonitrile
InChI Key WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molecular Formula C2H3N
88

Cyclohexane-d12, for NMR, 99.5 atom % D, Thermo Scientific™

CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.24 MDL Number: 00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N IUPAC Name: (²H₁₂)cyclohexane SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

CAS 1735-17-7
Molecular Weight (g/mol) 96.24
MDL Number 00044212
SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
IUPAC Name (²H₁₂)cyclohexane
InChI Key XDTMQSROBMDMFD-LBTWDOQPSA-N
Molecular Formula C6H12
89

Chloroform - D1, deuteration degree min. 99.8% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

PubChem CID 71583
CAS 865-49-6
Molecular Weight (g/mol) 120.375
ChEBI CHEBI:85365
SMILES C(Cl)(Cl)Cl
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name trichloro(deuterio)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
90

Chloroform-d, for NMR, 0.02-0.04v/v% TMS,in 0.75 ml amp.,99.8+ atom % D

CAS: 865-49-6 Molecular Formula: CCl3D Molecular Weight (g/mol): 120.39

CAS 865-49-6
Molecular Weight (g/mol) 120.39
Molecular Formula CCl3D