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.

76 – 90 of 8,603 results

Acetonitrile-d3, for NMR, packaged in 1.00 ml ampoules, 99.95 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

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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

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

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

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Molecular Weight (g/mol)	84.18
Molecular Formula	C₂D₆OS

Dichloromethane-d2, for NMR, 99.8 atom% D

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

Thermo Scientific Chemicals Methanol-d4,

Molecular Formula: CD₄O Molecular Weight (g/mol): 36.06

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Molecular Weight (g/mol)	36.06
Molecular Formula	CD₄O

Methanol-d4, for NMR, 99.6+ 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

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

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Specifications

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

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

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

TraceCERT™ Chloroform, 5000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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Dichloromethane-d2, 100% (Isotopic), 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

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

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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Specifications

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

Thermo Scientific Chemicals Methyl sulfoxide-d6,

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

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Molecular Weight (g/mol)	84.18
Molecular Formula	C₂D₆OS

Toluene-d8, for NMR, 99.5 atom % D, with 0.03% TMS

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

Methyl sulfoxide-d6, for NMR, packaged in 0.50 ml ampoules, 100.0 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

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