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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181 – 195 of 8,794 results

181

Dimethyl sulfoxide-d6, 100% (Isotopic), Thermo Scientific Chemicals

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]

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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
IUPAC Name	trideuterio(trideuteriomethylsulfinyl)methane
InChI Key	IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula	C2H6OS

182

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N,N-Dimethylformamide-d7, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

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

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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

183

Dichloromethane-d2, 100% (Isotopic), Thermo Scientific Chemicals

CAS: 1665-00-5 Molecular Formula: CH2Cl2 Molecular Weight (g/mol): 86.939 MDL Number: MFCD00000882 InChI Key: YMWUJEATGCHHMB-DICFDUPASA-N Synonym: dichloromethane-d2,methylene chloride-d2,dichloro 2h2 methane,methane-d2, dichloro,cd2cl2,deuterated dichloromethane,dichloro dideuterio methane,dideuteromethylene chloride,dichloromethane-d2, 99.9 atom % d,dichloromethane-d', 99.96 atom % d PubChem CID: 160586 IUPAC Name: dichloro(dideuterio)methane SMILES: C(Cl)Cl

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PubChem CID	160586
CAS	1665-00-5
Molecular Weight (g/mol)	86.939
MDL Number	MFCD00000882
SMILES	C(Cl)Cl
Synonym	dichloromethane-d2,methylene chloride-d2,dichloro 2h2 methane,methane-d2, dichloro,cd2cl2,deuterated dichloromethane,dichloro dideuterio methane,dideuteromethylene chloride,dichloromethane-d2, 99.9 atom % d,dichloromethane-d', 99.96 atom % d
IUPAC Name	dichloro(dideuterio)methane
InChI Key	YMWUJEATGCHHMB-DICFDUPASA-N
Molecular Formula	CH2Cl2

184

n-Pentane-d{12}, 98%(Isotopic)

CAS: 2031-90-5 Molecular Formula: C5H12 Molecular Weight (g/mol): 84.224 MDL Number: MFCD00190495 InChI Key: OFBQJSOFQDEBGM-HYVJACIRSA-N Synonym: pentane-d12,n-pentane-d12,2 h?? pentane,pentane-d12, 98 atom % d PubChem CID: 137286 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane SMILES: CCCCC

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PubChem CID	137286
CAS	2031-90-5
Molecular Weight (g/mol)	84.224
MDL Number	MFCD00190495
SMILES	CCCCC
Synonym	pentane-d12,n-pentane-d12,2 h?? pentane,pentane-d12, 98 atom % d
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
InChI Key	OFBQJSOFQDEBGM-HYVJACIRSA-N
Molecular Formula	C5H12

185

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

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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

186

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Ethanol-d, for NMR, 99.5+ atom % D

CAS: 925-93-9 Molecular Formula: C2H6O Molecular Weight (g/mol): 47.075 MDL Number: MFCD00044669 InChI Key: LFQSCWFLJHTTHZ-WFVSFCRTSA-N Synonym: ethanol-d,ethanol-d1,deuteroethanol,ethyl alcohol-d,ethyl 2 alcohol,ethanol-od,etod,ethan ol-d,ethanol-d 9ci,o-2h ethanol PubChem CID: 123093 IUPAC Name: deuteriooxyethane SMILES: CCO

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PubChem CID	123093
CAS	925-93-9
Molecular Weight (g/mol)	47.075
MDL Number	MFCD00044669
SMILES	CCO
Synonym	ethanol-d,ethanol-d1,deuteroethanol,ethyl alcohol-d,ethyl 2 alcohol,ethanol-od,etod,ethan ol-d,ethanol-d 9ci,o-2h ethanol
IUPAC Name	deuteriooxyethane
InChI Key	LFQSCWFLJHTTHZ-WFVSFCRTSA-N
Molecular Formula	C2H6O

187

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Dichloromethane-d2, for NMR, packaged in 1.00 ml ampoules, 99.6+ atom % D, Thermo Scientific Chemicals

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PubChem CID	160586
CAS	1665-00-5
Molecular Weight (g/mol)	86.939
MDL Number	MFCD00000882
SMILES	C(Cl)Cl
Synonym	dichloromethane-d2,methylene chloride-d2,dichloro 2h2 methane,methane-d2, dichloro,cd2cl2,deuterated dichloromethane,dichloro dideuterio methane,dideuteromethylene chloride,dichloromethane-d2, 99.9 atom % d,dichloromethane-d', 99.96 atom % d
IUPAC Name	dichloro(dideuterio)methane
InChI Key	YMWUJEATGCHHMB-DICFDUPASA-N
Molecular Formula	CH2Cl2

188

Deuterium oxide, for NMR, 100 atom % D, AcroSeal™

Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

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Molecular Weight (g/mol)	20.03
MDL Number	MFCD00044636
SMILES	[2H]O[2H]
IUPAC Name	[(²H)oxy](²H)
InChI Key	XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula	H2O

189

Pyridine-d5, for NMR, contains 1 v/v% TMS, 99 atom % D

CAS: 7291-22-7 Molecular Formula: C5H5N Molecular Weight (g/mol): 84.13 MDL Number: MFCD00044639 InChI Key: JUJWROOIHBZHMG-RALIUCGRSA-N Synonym: pyridine-d5,2h5 pyridine,c5d5n,2 h? pyridine,pyridine d5,pyridine,crude,light,pyridine, perdeutero,∼2∼h_5_ pyridine,de85c PubChem CID: 558519 IUPAC Name: 2,3,4,5,6-pentadeuteriopyridine SMILES: [2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]

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PubChem CID	558519
CAS	7291-22-7
Molecular Weight (g/mol)	84.13
MDL Number	MFCD00044639
SMILES	[2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]
Synonym	pyridine-d5,2h5 pyridine,c5d5n,2 h? pyridine,pyridine d5,pyridine,crude,light,pyridine, perdeutero,∼2∼h_5_ pyridine,de85c
IUPAC Name	2,3,4,5,6-pentadeuteriopyridine
InChI Key	JUJWROOIHBZHMG-RALIUCGRSA-N
Molecular Formula	C5H5N

190

Chloroform - D1, deuteration degree min. 99.96% 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

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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

191

Nitrobenzene-d5, for NMR, 99 atom % D

CAS: 4165-60-0 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 128.14 MDL Number: MFCD00044415 InChI Key: LQNUZADURLCDLV-RALIUCGRSA-N Synonym: nitrobenzene-d5,benzene-d5, nitro,nitrobenzene d5,benzene-d5-, nitro,1-nitro 2 h? benzene,nitrobenzene-d5, 99.5 atom % d,nitro 2h5 benzene,1-nitro 2h5 benzene,2h5 benzene, nitro,nitrobenzene-d5, analytical standard PubChem CID: 123210 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-nitrobenzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])[N+]([O-])=O

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PubChem CID	123210
CAS	4165-60-0
Molecular Weight (g/mol)	128.14
MDL Number	MFCD00044415
SMILES	[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])[N+]([O-])=O
Synonym	nitrobenzene-d5,benzene-d5, nitro,nitrobenzene d5,benzene-d5-, nitro,1-nitro 2 h? benzene,nitrobenzene-d5, 99.5 atom % d,nitro 2h5 benzene,1-nitro 2h5 benzene,2h5 benzene, nitro,nitrobenzene-d5, analytical standard
IUPAC Name	1,2,3,4,5-pentadeuterio-6-nitrobenzene
InChI Key	LQNUZADURLCDLV-RALIUCGRSA-N
Molecular Formula	C6H5NO2

192

Chloroform-d, for NMR, 99.8 Atom % D, AcroSeal™

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

193

Ethylbenzene-d10, for NMR, packaged in ampoules, 99+ atom% D

CAS: 25837-05-2 Molecular Formula: C8H10 Molecular Weight (g/mol): 116.229 MDL Number: MFCD00044343 InChI Key: YNQLUTRBYVCPMQ-CFTAVCBPSA-N Synonym: ethylbenzene-d10,2h10 ethylbenzene,benzene-d5, ethyl-d5,benzene-1,2,3,4,5-d5, 6-ethyl-1,1,2,2,2-d5,1,2,3,4,5-pentadeuterio-6-1,1,2,2,2-pentadeuterioethyl benzene,decadeuteroethylbenzene,ethylbenzene-d10, 99 atom % d,1-2 h? ethyl 2 h? benzene,ethylbenzene d10 2000 ng/microl in methanol,benzene-1,2,3,4,5-d5,6-ethyl-1,1,2,2,2-d5 PubChem CID: 117648 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene SMILES: CCC1=CC=CC=C1

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PubChem CID	117648
CAS	25837-05-2
Molecular Weight (g/mol)	116.229
MDL Number	MFCD00044343
SMILES	CCC1=CC=CC=C1
Synonym	ethylbenzene-d10,2h10 ethylbenzene,benzene-d5, ethyl-d5,benzene-1,2,3,4,5-d5, 6-ethyl-1,1,2,2,2-d5,1,2,3,4,5-pentadeuterio-6-1,1,2,2,2-pentadeuterioethyl benzene,decadeuteroethylbenzene,ethylbenzene-d10, 99 atom % d,1-2 h? ethyl 2 h? benzene,ethylbenzene d10 2000 ng/microl in methanol,benzene-1,2,3,4,5-d5,6-ethyl-1,1,2,2,2-d5
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
InChI Key	YNQLUTRBYVCPMQ-CFTAVCBPSA-N
Molecular Formula	C8H10

194

Toluene-d8, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N IUPAC Name: 1-(²H₃)methyl(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]

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CAS	2037-26-5
Molecular Weight (g/mol)	100.19
SMILES	[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]
IUPAC Name	1-(²H₃)methyl(²H₅)benzene
InChI Key	YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula	C7H8

195

Chloroform-d, 100% (Isotopic), contains 0.03% v/v TMS

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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

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