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 8,799 results

166

Nitromethane-d3, for NMR, 99.5 atom % D

CAS: 13031-32-8 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 64.06 MDL Number: MFCD00044214 InChI Key: LYGJENNIWJXYER-FIBGUPNXSA-N IUPAC Name: nitro(²H₃)methane SMILES: [2H]C([2H])([2H])[N+]([O-])=O

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CAS	13031-32-8
Molecular Weight (g/mol)	64.06
MDL Number	MFCD00044214
SMILES	[2H]C([2H])([2H])[N+]([O-])=O
IUPAC Name	nitro(²H₃)methane
InChI Key	LYGJENNIWJXYER-FIBGUPNXSA-N
Molecular Formula	CH3NO2

167

Ethanol-d{6}, 99.5%(Isotopic)

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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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

168

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Dimethyl Sulfoxide-d6, 99.9 Atom% D, Spectrum™ Chemical

D2493, 2206-27-1, CD₃SOCD₃

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Percent Purity	99.9%
CAS	2206-27-1
Molecular Weight (g/mol)	87.14
Color	Colorless
Packaging	Ampule
Chemical Name or Material	Dimethyl Sulfoxide to d6, 99.9 Atom Percent D
Grade	Ungraded
CAS Max %	100%

169

Chloroform-d, for NMR, 100.0 atom % D, stabilized with silver

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.38 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N IUPAC Name: trichloro(²H)methane SMILES: [2H]C(Cl)(Cl)Cl

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CAS	865-49-6
Molecular Weight (g/mol)	120.38
SMILES	[2H]C(Cl)(Cl)Cl
IUPAC Name	trichloro(²H)methane
InChI Key	HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula	CHCl3

170

1,2-Dichlorobenzene-d{4}, 99% (Isotopic), Thermo Scientific Chemicals

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

171

Methanol-d{4}, 100%(Isotopic)

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

172

o-Xylene-d{10}, 98+% (Isotopic)

CAS: 56004-61-6 Molecular Formula: C8H10 Molecular Weight (g/mol): 116.23 MDL Number: MFCD00037698 InChI Key: CTQNGGLPUBDAKN-ZGYYUIRESA-N Synonym: o-xylene-d10,2h10-o-xylene,1,2-dimethylbenzene-d10 99.5 atom % d,1,2-xylene-d10,o-xylene-d10, 99 atom % d,bis 2 h? methyl 2 h? benzene,1,2,3,4-tetradeuterio-5,6-bis trideuteriomethyl benzene PubChem CID: 91976 IUPAC Name: 1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene SMILES: [2H]C1=C([2H])C([2H])=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

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PubChem CID	91976
CAS	56004-61-6
Molecular Weight (g/mol)	116.23
MDL Number	MFCD00037698
SMILES	[2H]C1=C([2H])C([2H])=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonym	o-xylene-d10,2h10-o-xylene,1,2-dimethylbenzene-d10 99.5 atom % d,1,2-xylene-d10,o-xylene-d10, 99 atom % d,bis 2 h? methyl 2 h? benzene,1,2,3,4-tetradeuterio-5,6-bis trideuteriomethyl benzene
IUPAC Name	1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene
InChI Key	CTQNGGLPUBDAKN-ZGYYUIRESA-N
Molecular Formula	C8H10

173

Chloroform - D1, deuteration degree min. 99.8% 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

174

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Methyl sulfoxide-d6, for NMR, packaged in 0.75 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

175

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

176

Chloroform-d, 99.8% (Isotopic)

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

177

Diethyl ether-d{10}, 99%(Isotopic)

CAS: 2679-89-2 Molecular Formula: C4H10O Molecular Weight (g/mol): 84.18 MDL Number: MFCD00062316 InChI Key: RTZKZFJDLAIYFH-MWUKXHIBSA-N Synonym: ether-d10,diethyl ether-d10,2,2'-oxybis 2h5 ethane,diethylether-d10,di ethyl-d5 ether,ether-d10, 99 atom % d,2,2/'-oxybis 2h5 ethane,diethyl ether-d isotopic,1-2 h? ethoxy 2 h? ethane,1,1,1,2,2-pentadeuterio-2-1,1,2,2,2-pentadeuterioethoxy ethane PubChem CID: 2723765 IUPAC Name: 1-[(1,1,2,2,2-²H₅)ethoxy](²H₅)ethane SMILES: [2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H]

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PubChem CID	2723765
CAS	2679-89-2
Molecular Weight (g/mol)	84.18
MDL Number	MFCD00062316
SMILES	[2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H]
Synonym	ether-d10,diethyl ether-d10,2,2'-oxybis 2h5 ethane,diethylether-d10,di ethyl-d5 ether,ether-d10, 99 atom % d,2,2/'-oxybis 2h5 ethane,diethyl ether-d isotopic,1-2 h? ethoxy 2 h? ethane,1,1,1,2,2-pentadeuterio-2-1,1,2,2,2-pentadeuterioethoxy ethane
IUPAC Name	1-[(1,1,2,2,2-²H₅)ethoxy](²H₅)ethane
InChI Key	RTZKZFJDLAIYFH-MWUKXHIBSA-N
Molecular Formula	C4H10O

178

1,4-Dioxane-d{8}, 99% (Isotopic)

CAS: 17647-74-4 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 96.155 MDL Number: MFCD00044239 InChI Key: RYHBNJHYFVUHQT-SVYQBANQSA-N Synonym: 1,4-dioxane-d8,2h8-1,4-dioxane,1,4-dioxane-d8, 99 atom % d,2 h?-1,4-dioxane,1,4-dioxane-2lh8,1,4-dioxane d8,1,4-dioxane-d8, ≥99 atom % d,1,4-dioxane-d isotopic 1g,1,4-dioxane-d8 >99.0 atom % d,1 4-dioxane-d8 99 atom % d PubChem CID: 87209 IUPAC Name: 2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane SMILES: C1COCCO1

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PubChem CID	87209
CAS	17647-74-4
Molecular Weight (g/mol)	96.155
MDL Number	MFCD00044239
SMILES	C1COCCO1
Synonym	1,4-dioxane-d8,2h8-1,4-dioxane,1,4-dioxane-d8, 99 atom % d,2 h?-1,4-dioxane,1,4-dioxane-2lh8,1,4-dioxane d8,1,4-dioxane-d8, ≥99 atom % d,1,4-dioxane-d isotopic 1g,1,4-dioxane-d8 >99.0 atom % d,1 4-dioxane-d8 99 atom % d
IUPAC Name	2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
InChI Key	RYHBNJHYFVUHQT-SVYQBANQSA-N
Molecular Formula	C4H8O2

179

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Deuterium chloride, for NMR, 1M solution in D2O, 99.8 atom% D, AcroSeal™

CAS: 7698-05-7 Molecular Formula: ClH Molecular Weight (g/mol): 36.46 MDL Number: MFCD00044642 InChI Key: VEXZGXHMUGYJMC-FTGQXOHASA-N Synonym: deuterium chloride,hydrochloric acid-d,deuterium chloride, 20 wt% in deuterium oxide,chlorohydrogen,hydrochloric acid d,chloro 2h,deuterium chloride, 99 atom % d,deuterium chloride, 1 m in deuterium oxide,deuterium chloride, 0.1 m in deuterium oxide,deuterium chloride, 38 wt% in deuterium oxide PubChem CID: 522634 SMILES: Cl

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PubChem CID	522634
CAS	7698-05-7
Molecular Weight (g/mol)	36.46
MDL Number	MFCD00044642
SMILES	Cl
Synonym	deuterium chloride,hydrochloric acid-d,deuterium chloride, 20 wt% in deuterium oxide,chlorohydrogen,hydrochloric acid d,chloro 2h,deuterium chloride, 99 atom % d,deuterium chloride, 1 m in deuterium oxide,deuterium chloride, 0.1 m in deuterium oxide,deuterium chloride, 38 wt% in deuterium oxide
InChI Key	VEXZGXHMUGYJMC-FTGQXOHASA-N
Molecular Formula	ClH

180

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

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Dimethyl Sulfoxide-d6, 99.9 Atom% D, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Dimethyl Sulfoxide-d6, 99.9 Atom% D, Spectrum™ Chemical