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.

1 – 15 of 3,779 results

Acetonitrile-d3, for NMR, 99.8 atom % D

CAS: 2206-26-0 Molecular Weight (g/mol): 44.07

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CAS	2206-26-0
Molecular Weight (g/mol)	44.07

Methyl sulfoxide-d6, for NMR, 99.8 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 SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

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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
InChI Key	IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula	C2H6OS

Methyl sulfoxide-d6, for NMR, 99.5+ atom % D

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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
InChI Key	IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula	C2H6OS

Deuterium oxide, for NMR, 99.8 atom % D

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

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PubChem CID	24602
CAS	7789-20-0
Molecular Weight (g/mol)	20.03
ChEBI	CHEBI:41981
MDL Number	MFCD00044636
SMILES	[2H]O[2H]
Synonym	deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name	[(²H)oxy](²H)
InChI Key	XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula	H2O

Methanol-d4, for NMR, 99.5 atom % D

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

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PubChem CID	71568
CAS	811-98-3
Molecular Weight (g/mol)	36.066
MDL Number	MFCD00044637
SMILES	CO
Synonym	methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d
IUPAC Name	trideuterio(deuteriooxy)methane
InChI Key	OKKJLVBELUTLKV-MZCSYVLQSA-N
Molecular Formula	CH4O

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Chloroform-d, for NMR, 99.8 atom % D

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 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

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PubChem CID	71583
CAS	865-49-6
Molecular Weight (g/mol)	120.375
ChEBI	CHEBI:85365
MDL Number	MFCD00000827
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

PubChem CID	24602
CAS	7789-20-0
Molecular Weight (g/mol)	20.03
ChEBI	CHEBI:41981
MDL Number	MFCD00044636
SMILES	[2H]O[2H]
Synonym	deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name	[(²H)oxy](²H)
InChI Key	XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula	H2O

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Methyl sulfoxide-d6, for NMR, packaged in 0.75 ml ampoules, 99.9 atom % D

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Chloroform-d, for NMR, 99.8 atom % D,with 0.1 v/v% TMS, stab. with silver

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1,1,2,2-Tetrachloroethane-d2, for NMR, 99.5+ atom% D

CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 MDL Number: MFCD00037672 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N Synonym: 1,1,2,2-tetrachloroethane-d2,1,2-dideutero-1,1,2,2-tetrachloroethane,tetrachloro 2 h? ethane,1,1,2,2-tetrachloroethane-d2 tce-d2,ethane-d2, 1,1,2,2-tetrachloro,ethane-1,2-d2, 1,1,2,2-tetrachloro,1,1,2,2-tetrachloro-1,2-2h2 ethane,de87d,1,1,2,2-tetrachloroethane-d2 >99.50 atom % d,1,1,2,2-tetrachloroethane-d2, ≥99.5 atom % d PubChem CID: 118531 IUPAC Name: 1,1,2,2-tetrachloro-1,2-dideuterioethane SMILES: C(C(Cl)Cl)(Cl)Cl

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PubChem CID	118531
CAS	33685-54-0
Molecular Weight (g/mol)	169.85
MDL Number	MFCD00037672
SMILES	C(C(Cl)Cl)(Cl)Cl
Synonym	1,1,2,2-tetrachloroethane-d2,1,2-dideutero-1,1,2,2-tetrachloroethane,tetrachloro 2 h? ethane,1,1,2,2-tetrachloroethane-d2 tce-d2,ethane-d2, 1,1,2,2-tetrachloro,ethane-1,2-d2, 1,1,2,2-tetrachloro,1,1,2,2-tetrachloro-1,2-2h2 ethane,de87d,1,1,2,2-tetrachloroethane-d2 >99.50 atom % d,1,1,2,2-tetrachloroethane-d2, ≥99.5 atom % d
IUPAC Name	1,1,2,2-tetrachloro-1,2-dideuterioethane
InChI Key	QPFMBZIOSGYJDE-QDNHWIQGSA-N
Molecular Formula	C2H2Cl4

Chloroform-d, for NMR, 99.8 atom % D, packaged in 0.75 ml ampoules

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Toluene-d8, for NMR, 99+ 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

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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

Isotopically Labeled Compounds

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