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.

Search Within Results

166 – 180 of 8,941 results

166

Promotions Available

Acetonitrile-d3, for NMR, packaged in 0.75 ml ampoules, 99.9 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

Pricing & Availability
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

167

Bromobenzene-d{5}, 99% (Isotopic)

CAS: 4165-57-5 Molecular Formula: C6H5Br Molecular Weight (g/mol): 162.04 MDL Number: MFCD00000056 InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N Synonym: bromobenzene-d5,bromo 2h5 benzene,1-bromo 2 h? benzene,bromobenzene d5,benzene-d5, bromo,1-bromo 2h5 benzene,c6d5br,bromobenzene-d5, 99.5 atom % d,bromobenzene-d5, reagent grade, ≥99 atom % d cp PubChem CID: 2723968 SMILES: [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]

Pricing & Availability
Specifications

PubChem CID	2723968
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]
Synonym	bromobenzene-d5,bromo 2h5 benzene,1-bromo 2 h? benzene,bromobenzene d5,benzene-d5, bromo,1-bromo 2h5 benzene,c6d5br,bromobenzene-d5, 99.5 atom % d,bromobenzene-d5, reagent grade, ≥99 atom % d cp
InChI Key	QARVLSVVCXYDNA-RALIUCGRSA-N
Molecular Formula	C6H5Br

168

Promotions Available

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

D2493, 2206-27-1, CD₃SOCD₃

Pricing & Availability
Specifications

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

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]

Pricing & Availability
Specifications

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

170

Chloroform - D1, 0.03 vol.% TMS, deuteration deg. min. 99.8% for NMR, 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

Pricing & Availability
Specifications

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

171

Promotions Available

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

Pricing & Availability
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

172

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

Pricing & Availability
Specifications

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

173

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

Pricing & Availability
Specifications

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

174

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

Pricing & Availability
Specifications

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

175

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]

Pricing & Availability
Specifications

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

176

Promotions Available

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]

Pricing & Availability
Specifications

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

177

Methanol-d4, for NMR, 99.8 atom% D, AcroSeal™

Pricing & Availability
Specifications

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

178

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

Pricing & Availability
Specifications

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

179

Promotions Available

Methyl sulfoxide-d6, for NMR, packaged in 1.00 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]

Pricing & Availability
Specifications

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

180

Toluene-d8, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N IUPAC Name: 1-(²H₃)methyl(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]

Pricing & Availability
Specifications

CAS	2037-26-5
Molecular Weight (g/mol)	100.19
SMILES	[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]
IUPAC Name	1-(²H₃)methyl(²H₅)benzene
InChI Key	YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula	C7H8

Isotopically Labeled Compounds

Filtered Search Results

Narrow Results

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