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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106 – 120 of 8,799 results

106

Toluene-d{8}, 100% (Isotopic), Thermo Scientific Chemicals

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

107

1,2-Dichlorobenzene-d4, for NMR, 99 atom % D

CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.02 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N IUPAC Name: dichloro(²H₄)benzene SMILES: [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]

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CAS	2199-69-1
Molecular Weight (g/mol)	151.02
MDL Number	MFCD00037106
SMILES	[2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]
IUPAC Name	dichloro(²H₄)benzene
InChI Key	RFFLAFLAYFXFSW-RHQRLBAQSA-N
Molecular Formula	C6H4Cl2

108

n-Hexane-d{14}, 99%(Isotopic)

CAS: 21666-38-6 Molecular Formula: C6H14 Molecular Weight (g/mol): 100.26 MDL Number: MFCD00037562 InChI Key: VLKZOEOYAKHREP-ZLKPZJALSA-N Synonym: hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d PubChem CID: 140854 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

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PubChem CID	140854
CAS	21666-38-6
Molecular Weight (g/mol)	100.26
MDL Number	MFCD00037562
SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Synonym	hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
InChI Key	VLKZOEOYAKHREP-ZLKPZJALSA-N
Molecular Formula	C6H14

109

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Methyl sulfoxide-d6, for NMR, packaged in 0.50 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]

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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

110

Pyridine-d{5}, 99.5% (Isotopic)

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

111

Naphthalene-d8, for NMR, 98+ atom % D

CAS: 1146-65-2 Molecular Formula: C10H8 Molecular Weight (g/mol): 136.22 MDL Number: MFCD00001743 InChI Key: UFWIBTONFRDIAS-PGRXLJNUSA-N Synonym: naphthalene-d8,2h8 naphthalene,perdeuteronaphthalene,naphthalene d8,perdeuterated naphthalene,2 h? naphthalene,naphthalene-d8, analytical standard,naphthalene-d8 >98.0 atom % d,naphthalene d8 10 microg/ml in cyclohexane PubChem CID: 92148 IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterionaphthalene SMILES: [2H]C1=C([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])=C1[2H]

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PubChem CID	92148
CAS	1146-65-2
Molecular Weight (g/mol)	136.22
MDL Number	MFCD00001743
SMILES	[2H]C1=C([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])=C1[2H]
Synonym	naphthalene-d8,2h8 naphthalene,perdeuteronaphthalene,naphthalene d8,perdeuterated naphthalene,2 h? naphthalene,naphthalene-d8, analytical standard,naphthalene-d8 >98.0 atom % d,naphthalene d8 10 microg/ml in cyclohexane
IUPAC Name	1,2,3,4,5,6,7,8-octadeuterionaphthalene
InChI Key	UFWIBTONFRDIAS-PGRXLJNUSA-N
Molecular Formula	C10H8

112

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

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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

113

2,2,2-Trifluoroethanol-d{2}, 98% (Isotopic), Thermo Scientific Chemicals

CAS: 132248-58-9 Molecular Formula: C2H3F3O Molecular Weight (g/mol): 102.052 MDL Number: MFCD00082609 InChI Key: RHQDFWAXVIIEBN-DICFDUPASA-N Synonym: 2,2,2-trifluoroethanol-1,1-d2,trifluoroethanol-d2,2,2,2-trifluoroethanol-d2,trifluoro 2 h? ethanol,2,2,2-trifluoroethyl-1,1-d2 alcohol,2 2 2-trifluoroethyl-1 1-d2 alcohol,2,2,2-trifluoroethanol-1,1-d2 99.5 atom % d,2,2,2-trifluoroethanol-1,1-d2, 99.5 atom % d,2 2 2-trifluoroethyl-1 1-d2 alcohol 99.5 PubChem CID: 12255976 IUPAC Name: 1,1-dideuterio-2,2,2-trifluoroethanol SMILES: C(C(F)(F)F)O

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PubChem CID	12255976
CAS	132248-58-9
Molecular Weight (g/mol)	102.052
MDL Number	MFCD00082609
SMILES	C(C(F)(F)F)O
Synonym	2,2,2-trifluoroethanol-1,1-d2,trifluoroethanol-d2,2,2,2-trifluoroethanol-d2,trifluoro 2 h? ethanol,2,2,2-trifluoroethyl-1,1-d2 alcohol,2 2 2-trifluoroethyl-1 1-d2 alcohol,2,2,2-trifluoroethanol-1,1-d2 99.5 atom % d,2,2,2-trifluoroethanol-1,1-d2, 99.5 atom % d,2 2 2-trifluoroethyl-1 1-d2 alcohol 99.5
IUPAC Name	1,1-dideuterio-2,2,2-trifluoroethanol
InChI Key	RHQDFWAXVIIEBN-DICFDUPASA-N
Molecular Formula	C2H3F3O

114

Pyridine-d5, for NMR, with 0.03% TMS, 100.0 atom% D

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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

115

Ammonium-d{4} deuteroxide, 99% (Isotopic), 23.0-27.0 wt% soln. in D{2}O

CAS: 12168-30-8 Molecular Formula: H5NO Molecular Weight (g/mol): 40.077 MDL Number: MFCD00064511 InChI Key: VHUUQVKOLVNVRT-NSPFYZSMSA-N Synonym: ammonium deuteroxide,ammonium-d4 deuteroxide solution, 25 wt. % in d2o, 99 atom % d PubChem CID: 16211396 SMILES: N.O

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PubChem CID	16211396
CAS	12168-30-8
Molecular Weight (g/mol)	40.077
MDL Number	MFCD00064511
SMILES	N.O
Synonym	ammonium deuteroxide,ammonium-d4 deuteroxide solution, 25 wt. % in d2o, 99 atom % d
InChI Key	VHUUQVKOLVNVRT-NSPFYZSMSA-N
Molecular Formula	H5NO

116

1,1,2,2-Tetrachloroethane-d{2}, 99.5% (Isotopic)

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

117

Acetic-d3 acid-d, for NMR, 99.5 atom % D, packaged in 0.75 ml ampoules

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N IUPAC Name: (²H₃)ethan(²H)oic acid SMILES: [2H]OC(=O)C([2H])([2H])[2H]

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CAS	1186-52-3
Molecular Weight (g/mol)	64.08
MDL Number	MFCD00051051
SMILES	[2H]OC(=O)C([2H])([2H])[2H]
IUPAC Name	(²H₃)ethan(²H)oic acid
InChI Key	QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula	C2H4O2

118

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Acetic anhydride-d6, for NMR, 98.5 atom % D

CAS: 16649-49-3 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 108.13 MDL Number: MFCD00044225 InChI Key: WFDIJRYMOXRFFG-WFGJKAKNSA-N Synonym: acetic anhydride-d6,2h3 acetic anhydride,acetic anhydride d6,2h3 acetyl 2h3 acetate,acetic anhydride-d6, 99 atom % d,2 h? acetyl 2 h? acetate,2,2,2-trideuterioacetyl 2,2,2-trideuterioacetate PubChem CID: 2723966 IUPAC Name: (2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate SMILES: [2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]

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PubChem CID	2723966
CAS	16649-49-3
Molecular Weight (g/mol)	108.13
MDL Number	MFCD00044225
SMILES	[2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]
Synonym	acetic anhydride-d6,2h3 acetic anhydride,acetic anhydride d6,2h3 acetyl 2h3 acetate,acetic anhydride-d6, 99 atom % d,2 h? acetyl 2 h? acetate,2,2,2-trideuterioacetyl 2,2,2-trideuterioacetate
IUPAC Name	(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate
InChI Key	WFDIJRYMOXRFFG-WFGJKAKNSA-N
Molecular Formula	C4H6O3

119

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

120

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

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Specifications

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

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