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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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166 – 180 of 8,941 results
166
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Acetone-d6, for NMR, with 0.03% TMS, 99.9 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
167
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Toluene-d8, for NMR, 99.5 atom % D, AcroSeal™

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 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
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
168

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

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
169

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]

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
170

Toluene-d8, for NMR, 100.0 atom % D, packaged in 0.50 ml ampoules

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
171

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

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
172
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Chloroform-d, for NMR, 100 atom % D, packaged in 0.75 ml ampoules

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

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
173

Methanol-d4, for NMR, contains 0.03 v/v% TMS, 99.8 atom % D

CAS: 811-98-3 Molecular Formula: CH4O MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: trideuterio deuteriooxy methane,perdeuteromethanol,methyl-d3 alcohol-d,methan-d3-ol-d,methyl alcohol-d4,tetradeuteromethanol,2h4 methanol,cd3od,methanol-d4,methanol-d4, 99.8 atom % d PubChem CID: 71568

PubChem CID 71568
CAS 811-98-3
MDL Number MFCD00044637
Synonym trideuterio deuteriooxy methane,perdeuteromethanol,methyl-d3 alcohol-d,methan-d3-ol-d,methyl alcohol-d4,tetradeuteromethanol,2h4 methanol,cd3od,methanol-d4,methanol-d4, 99.8 atom % d
InChI Key OKKJLVBELUTLKV-MZCSYVLQSA-N
Molecular Formula CH4O
174
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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]

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
175

Acetone-d6, for NMR, 99.8 atom % D, AcroSeal™

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
176

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

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
177

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

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
178
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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]

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
179

Acetone-d6, for NMR, packaged in 0.75 ml ampoules, 99.9 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
180
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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

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