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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211 – 225 of 8,941 results

211

Styrene-d8, for NMR, 98+ atom% D, stabilized

CAS: 19361-62-7 Molecular Formula: C8H8 Molecular Weight (g/mol): 112.201 MDL Number: MFCD00044231 InChI Key: PPBRXRYQALVLMV-GDALLCCDSA-N Synonym: styrene-d8,2h8 styrene,perdeuteriostyrene,benzene-d5, ethenyl-d3,1,2,3,4,5-pentadeuterio-6-1,2,2-trideuterioethenyl benzene,benzene-1,2,3,4,5-d5, 6-ethenyl-1,2,2-d3,styrene d8,phenethylene-d8,phenylethene-d8,vinylbenzene-d8 PubChem CID: 88025 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene SMILES: C=CC1=CC=CC=C1

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PubChem CID	88025
CAS	19361-62-7
Molecular Weight (g/mol)	112.201
MDL Number	MFCD00044231
SMILES	C=CC1=CC=CC=C1
Synonym	styrene-d8,2h8 styrene,perdeuteriostyrene,benzene-d5, ethenyl-d3,1,2,3,4,5-pentadeuterio-6-1,2,2-trideuterioethenyl benzene,benzene-1,2,3,4,5-d5, 6-ethenyl-1,2,2-d3,styrene d8,phenethylene-d8,phenylethene-d8,vinylbenzene-d8
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene
InChI Key	PPBRXRYQALVLMV-GDALLCCDSA-N
Molecular Formula	C8H8

212

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Pyridine-d5, for NMR, 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

213

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Acetone-d6, for NMR, packaged in 0.75ml ampoules, 100.0 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

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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

214

Nitromethane-d3, for NMR, 99 atom % D

CAS: 13031-32-8 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 64.06 MDL Number: MFCD00044214 InChI Key: LYGJENNIWJXYER-FIBGUPNXSA-N Synonym: nitromethane-d3,nitro 2h3 methane,nitro 2 h? methane,nitromethane-d3, 99 atom % d,methane-d3, nitro,cd3no2,trideuteronitromethane,methane-d3-, nitro,nitromethane-d3, ≥99 atom % d, contains 1 % v/v tms PubChem CID: 123293 IUPAC Name: trideuterio(nitro)methane SMILES: [2H]C([2H])([2H])[N+]([O-])=O

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PubChem CID	123293
CAS	13031-32-8
Molecular Weight (g/mol)	64.06
MDL Number	MFCD00044214
SMILES	[2H]C([2H])([2H])[N+]([O-])=O
Synonym	nitromethane-d3,nitro 2h3 methane,nitro 2 h? methane,nitromethane-d3, 99 atom % d,methane-d3, nitro,cd3no2,trideuteronitromethane,methane-d3-, nitro,nitromethane-d3, ≥99 atom % d, contains 1 % v/v tms
IUPAC Name	trideuterio(nitro)methane
InChI Key	LYGJENNIWJXYER-FIBGUPNXSA-N
Molecular Formula	CH3NO2

215

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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

216

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Methanol-d3, for NMR, 99.5 atom % D

CAS: 1849-29-2 Molecular Formula: CH4O Molecular Weight (g/mol): 35.06 MDL Number: MFCD00055877 InChI Key: OKKJLVBELUTLKV-FIBGUPNXSA-N Synonym: methanol-d3,methan-d3-ol,2h3 methanol,methyl-d3 alcohol,methan-d3-ol 6ci,7ci,8ci,9ci,cd3oh,1,1,1-trideuteromethanol,methanol d,1,1,1-2h3 methanol,methanol-d3, 99.8 atom % d PubChem CID: 123132 IUPAC Name: trideuteriomethanol SMILES: CO

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PubChem CID	123132
CAS	1849-29-2
Molecular Weight (g/mol)	35.06
MDL Number	MFCD00055877
SMILES	CO
Synonym	methanol-d3,methan-d3-ol,2h3 methanol,methyl-d3 alcohol,methan-d3-ol 6ci,7ci,8ci,9ci,cd3oh,1,1,1-trideuteromethanol,methanol d,1,1,1-2h3 methanol,methanol-d3, 99.8 atom % d
IUPAC Name	trideuteriomethanol
InChI Key	OKKJLVBELUTLKV-FIBGUPNXSA-N
Molecular Formula	CH4O

217

Cyclohexane-d12, for NMR, 99.5 atom % D, Thermo Scientific™

CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.24 MDL Number: 00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N IUPAC Name: (²H₁₂)cyclohexane SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

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CAS	1735-17-7
Molecular Weight (g/mol)	96.24
MDL Number	00044212
SMILES	[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
IUPAC Name	(²H₁₂)cyclohexane
InChI Key	XDTMQSROBMDMFD-LBTWDOQPSA-N
Molecular Formula	C6H12

218

Toluene-d8, for NMR, 100.0 atom % D

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

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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

219

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Acetone-d6, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

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Specifications

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

220

Bromobenzene-d5, for NMR, 99.5 atom% D

CAS: 4165-57-5 Molecular Formula: C6H5Br Molecular Weight (g/mol): 162.04 MDL Number: MFCD00000056 InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N IUPAC Name: 1-bromo(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]

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CAS	4165-57-5
Molecular Weight (g/mol)	162.04
MDL Number	MFCD00000056
SMILES	[2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]
IUPAC Name	1-bromo(²H₅)benzene
InChI Key	QARVLSVVCXYDNA-RALIUCGRSA-N
Molecular Formula	C6H5Br

221

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

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

222

Sodium deuteroxide, for NMR, 30 wt% solution in D2O, 99+ atom % D

CAS: 14014-06-3 Molecular Formula: HNaO Molecular Weight (g/mol): 41.003 MDL Number: MFCD00037669 InChI Key: HEMHJVSKTPXQMS-DYCDLGHISA-M Synonym: sodium deuteroxide,sodium hydroxide na od,sodium deuteroxide, 40 wt% in deuterium oxide,naod,sodium hydroxide-d,sodium deuteroxide solution,sodium deuteroxide, 1 m in deuterium oxide,sodium deuteroxide, 0.1 m in deuterium oxide,sodium deuteroxide, 30 wt% in deuterium oxide,sodium hydroxide na od 6ci,7ci,8ci,9ci PubChem CID: 23676750 SMILES: [OH-].[Na+]

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PubChem CID	23676750
CAS	14014-06-3
Molecular Weight (g/mol)	41.003
MDL Number	MFCD00037669
SMILES	[OH-].[Na+]
Synonym	sodium deuteroxide,sodium hydroxide na od,sodium deuteroxide, 40 wt% in deuterium oxide,naod,sodium hydroxide-d,sodium deuteroxide solution,sodium deuteroxide, 1 m in deuterium oxide,sodium deuteroxide, 0.1 m in deuterium oxide,sodium deuteroxide, 30 wt% in deuterium oxide,sodium hydroxide na od 6ci,7ci,8ci,9ci
InChI Key	HEMHJVSKTPXQMS-DYCDLGHISA-M
Molecular Formula	HNaO

223

Sulfuric acid-d2, for NMR, 98 wt.% in D2O, 99.5+ atom % D

CAS: 13813-19-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 100.08 MDL Number: MFCD00003542 InChI Key: QAOWNCQODCNURD-ZSJDYOACSA-N Synonym: sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic PubChem CID: 160992 IUPAC Name: dideuterio sulfate SMILES: [2H]OS(=O)(=O)O[2H]

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PubChem CID	160992
CAS	13813-19-9
Molecular Weight (g/mol)	100.08
MDL Number	MFCD00003542
SMILES	[2H]OS(=O)(=O)O[2H]
Synonym	sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic
IUPAC Name	dideuterio sulfate
InChI Key	QAOWNCQODCNURD-ZSJDYOACSA-N
Molecular Formula	H2O4S

224

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1,2-Dichlorobenzene-d4, for NMR, 98 atom% D

CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.02 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N Synonym: 1,2-dichlorobenzene-d4,1,2-dichlorobenzene d4,benzene-1,2,3,4-d4-, 5,6-dichloro,o-dichloro 2h4 benzene,deuterated 1,2-dichlorobenzene,tetradeutero-1,2-dichlorobenzene,1,2-dichlorobenzene-d4, 98 atom % d,1,2-dichlorobenzene-d4,98atom%d,benzene-1,2,3,4-d4, 5,6-dichloro,1,2-dichloro-3,4,5,6-tetradeuterobenzene PubChem CID: 519913 IUPAC Name: 1,2-dichloro-3,4,5,6-tetradeuteriobenzene SMILES: [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]

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PubChem CID	519913
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]
Synonym	1,2-dichlorobenzene-d4,1,2-dichlorobenzene d4,benzene-1,2,3,4-d4-, 5,6-dichloro,o-dichloro 2h4 benzene,deuterated 1,2-dichlorobenzene,tetradeutero-1,2-dichlorobenzene,1,2-dichlorobenzene-d4, 98 atom % d,1,2-dichlorobenzene-d4,98atom%d,benzene-1,2,3,4-d4, 5,6-dichloro,1,2-dichloro-3,4,5,6-tetradeuterobenzene
IUPAC Name	1,2-dichloro-3,4,5,6-tetradeuteriobenzene
InChI Key	RFFLAFLAYFXFSW-RHQRLBAQSA-N
Molecular Formula	C6H4Cl2

225

Chloroform (stabilized with Ethanol) 99.0+%, TCI America™

CAS: 67-66-3 Molecular Formula: CHCl3 Molecular Weight (g/mol): 119.37 MDL Number: MFCD00000826 InChI Key: HEDRZPFGACZZDS-UHFFFAOYSA-N Synonym: trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio PubChem CID: 6212 ChEBI: CHEBI:35255 IUPAC Name: trichloromethane SMILES: ClC(Cl)Cl

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PubChem CID	6212
CAS	67-66-3
Molecular Weight (g/mol)	119.37
ChEBI	CHEBI:35255
MDL Number	MFCD00000826
SMILES	ClC(Cl)Cl
Synonym	trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio
IUPAC Name	trichloromethane
InChI Key	HEDRZPFGACZZDS-UHFFFAOYSA-N
Molecular Formula	CHCl3

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