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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196 – 210 of 8,799 results

196

Sodium deuteroxide, for NMR, 40 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

197

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

198

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Pyridine-d5, for NMR, packaged in 0.75 ml ampoules, 99.8 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

199

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]

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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

200

Deuterium oxide, for NMR, packaged in 0.75ml ampoules, 99.8 atom% D

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

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PubChem CID	24602
CAS	7789-20-0
Molecular Weight (g/mol)	20.03
ChEBI	CHEBI:41981
MDL Number	MFCD00044636
SMILES	[2H]O[2H]
Synonym	deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name	[(²H)oxy](²H)
InChI Key	XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula	H2O

201

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

202

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

203

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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%

204

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

205

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

206

Tetrahydrofuran-d{8}, 100%(Isotopic), Thermo Scientific Chemicals

CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]

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PubChem CID	80290
CAS	1693-74-9
Molecular Weight (g/mol)	80.16
MDL Number	MFCD00044238
SMILES	[2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
Synonym	tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4
IUPAC Name	2,2,3,3,4,4,5,5-octadeuteriooxolane
InChI Key	WYURNTSHIVDZCO-SVYQBANQSA-N
Molecular Formula	C4H8O

207

Chloroform-d, for NMR, 99.8 atom % D,with 0.1 v/v% TMS, stab. 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

208

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Acetone-d6, for NMR, 99.8 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

209

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Methanol-d4, for NMR, 99.5 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

210

1,1,1,3,3,3-Hexafluoro-2-propanol-d{2}, 98%(Isotopic)

CAS: 38701-74-5 Molecular Formula: C3H2F6O Molecular Weight (g/mol): 170.05 MDL Number: MFCD00037559 InChI Key: BYEAHWXPCBROCE-AWPANEGFSA-N PubChem CID: 2724852 SMILES: [2H]OC([2H])(C(F)(F)F)C(F)(F)F

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PubChem CID	2724852
CAS	38701-74-5
Molecular Weight (g/mol)	170.05
MDL Number	MFCD00037559
SMILES	[2H]OC([2H])(C(F)(F)F)C(F)(F)F
InChI Key	BYEAHWXPCBROCE-AWPANEGFSA-N
Molecular Formula	C3H2F6O

Isotopically Labeled Compounds

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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