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.

211 – 225 of 2,673 results

211

Pyridine-d5, 99.5%(Isotopic), Thermo Scientific Chemicals

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: (²H₅)pyridine 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	(²H₅)pyridine
InChI Key	JUJWROOIHBZHMG-RALIUCGRSA-N
Molecular Formula	C5H5N

212

Deuterium chloride, 20% w/w in D{2}O, 99.96% (Isotopic), Thermo Scientific Chemicals

CAS: 7698-05-7,7789-20-0 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	7698-05-7,7789-20-0
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

213

Trifluoroacetic acid-d, 99.5%(Isotopic)

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

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Specifications

PubChem CID	71502
CAS	599-00-8
Molecular Weight (g/mol)	115.029
MDL Number	MFCD00044563
SMILES	C(=O)(C(F)(F)F)O
Synonym	trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name	deuterio 2,2,2-trifluoroacetate
InChI Key	DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula	C2HF3O2

214

1,2-Dibromoethane-d{4}, 99%(Isotopic)

CAS: 22581-63-1 Molecular Formula: C2H4Br2 Molecular Weight (g/mol): 191.886 MDL Number: MFCD00037499 InChI Key: PAAZPARNPHGIKF-LNLMKGTHSA-N Synonym: 1,2-dibromoethane-d4,1,2-dibromo-1,1,2,2-2h4 ethane,dibromo 2 h? ethane,dibromoethane-d4,ethane-d4, 1,2-dibromo,ethylene-d4 dibromide,2h4-edb,tetradeutero-1,2-dibromoethane,1,2-dibromoethane-d4, 99 atom % d,1,2-dibromoethane-d4 99.0 atom % d PubChem CID: 123404 IUPAC Name: 1,2-dibromo-1,1,2,2-tetradeuterioethane SMILES: C(CBr)Br

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Specifications

PubChem CID	123404
CAS	22581-63-1
Molecular Weight (g/mol)	191.886
MDL Number	MFCD00037499
SMILES	C(CBr)Br
Synonym	1,2-dibromoethane-d4,1,2-dibromo-1,1,2,2-2h4 ethane,dibromo 2 h? ethane,dibromoethane-d4,ethane-d4, 1,2-dibromo,ethylene-d4 dibromide,2h4-edb,tetradeutero-1,2-dibromoethane,1,2-dibromoethane-d4, 99 atom % d,1,2-dibromoethane-d4 99.0 atom % d
IUPAC Name	1,2-dibromo-1,1,2,2-tetradeuterioethane
InChI Key	PAAZPARNPHGIKF-LNLMKGTHSA-N
Molecular Formula	C2H4Br2

215

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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Specifications

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

216

2-Propanol-d{8}, 99%(Isotopic)

CAS: 22739-76-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 68.15 MDL Number: MFCD00044341 InChI Key: KFZMGEQAYNKOFK-PIODKIDGSA-N Synonym: 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d PubChem CID: 2723972 SMILES: [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

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Specifications

PubChem CID	2723972
CAS	22739-76-0
Molecular Weight (g/mol)	68.15
MDL Number	MFCD00044341
SMILES	[2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonym	2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d
InChI Key	KFZMGEQAYNKOFK-PIODKIDGSA-N
Molecular Formula	C3H8O

217

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

218

Trifluoroacetic acid-D1, deuteration degree min. 99.5% for NMR spectroscopy MagniSolv™, MilliporeSigma™

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

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Specifications

PubChem CID	71502
CAS	599-00-8
Molecular Weight (g/mol)	115.029
SMILES	C(=O)(C(F)(F)F)O
Synonym	trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name	deuterio 2,2,2-trifluoroacetate
InChI Key	DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula	C2HF3O2

219

Tetramethylsilane, for the calibration of NMR spectra for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 75-76-3 Molecular Formula: C4H12Si Molecular Weight (g/mol): 88.23 MDL Number: MFCD00008274 InChI Key: CZDYPVPMEAXLPK-UHFFFAOYSA-N Synonym: silane, tetramethyl,tetramethylsilicane,tetramethyl silane,silicon, tetramethyl,tetramethyl-silane,unii-41y0rbg14q,me4si,ch3 4si,si ch3 4,chembl68073 PubChem CID: 6396 ChEBI: CHEBI:85361 IUPAC Name: tetramethylsilane SMILES: C[Si](C)(C)C

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PubChem CID	6396
CAS	75-76-3
Molecular Weight (g/mol)	88.23
ChEBI	CHEBI:85361
MDL Number	MFCD00008274
SMILES	C[Si](C)(C)C
Synonym	silane, tetramethyl,tetramethylsilicane,tetramethyl silane,silicon, tetramethyl,tetramethyl-silane,unii-41y0rbg14q,me4si,ch3 4si,si ch3 4,chembl68073
IUPAC Name	tetramethylsilane
InChI Key	CZDYPVPMEAXLPK-UHFFFAOYSA-N
Molecular Formula	C4H12Si

220

Dimethyl sulfoxide - D6, deuteration deg. min. 99.96% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

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: (²H₃)methanesulfinyl(²H₃)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

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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	(²H₃)methanesulfinyl(²H₃)methane
InChI Key	IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula	C2H6OS

221

1,1,2,2-Tetrachloroethane-d2, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N IUPAC Name: tetrachloro(²H₂)ethane SMILES: [2H]C(Cl)(Cl)C([2H])(Cl)Cl

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Specifications

CAS	33685-54-0
Molecular Weight (g/mol)	169.85
SMILES	[2H]C(Cl)(Cl)C([2H])(Cl)Cl
IUPAC Name	tetrachloro(²H₂)ethane
InChI Key	QPFMBZIOSGYJDE-QDNHWIQGSA-N
Molecular Formula	C2H2Cl4

222

Deuterium chloride, for NMR, 20 wt. % solution in D2O, 99.5 atom % D

CAS: 7698-05-7 Molecular Formula: ClH Molecular Weight (g/mol): 36.46 InChI Key: VEXZGXHMUGYJMC-FTGQXOHASA-N IUPAC Name: proton chloride SMILES: [1H+].[Cl-]

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CAS	7698-05-7
Molecular Weight (g/mol)	36.46
SMILES	[1H+].[Cl-]
IUPAC Name	proton chloride
InChI Key	VEXZGXHMUGYJMC-FTGQXOHASA-N
Molecular Formula	ClH

223

Acetic acid-d{4}, 99.5% (Isotopic)

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 SMILES: [2H]OC(=O)C([2H])([2H])[2H]

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Specifications

PubChem CID	2723903
CAS	1186-52-3
Molecular Weight (g/mol)	64.08
MDL Number	MFCD00051051
SMILES	[2H]OC(=O)C([2H])([2H])[2H]
Synonym	acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
InChI Key	QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula	C2H4O2

224

Dichloromethane-d{2}, 99.9% (Isotopic)

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

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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

225

alpha-Methyl-gamma-butyrolactone 98.0+%, TCI America™

CAS: 1679-47-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00005396 InChI Key: QGLBZNZGBLRJGS-UHFFFAOYNA-N Synonym: Dihydro-3-methyl-2(3H)-furanone PubChem CID: 98323 IUPAC Name: 3-methyloxolan-2-one SMILES: CC1CCOC1=O

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Specifications

PubChem CID	98323
CAS	1679-47-6
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00005396
SMILES	CC1CCOC1=O
Synonym	Dihydro-3-methyl-2(3H)-furanone
IUPAC Name	3-methyloxolan-2-one
InChI Key	QGLBZNZGBLRJGS-UHFFFAOYNA-N
Molecular Formula	C5H8O2

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alpha-Methyl-gamma-butyrolactone 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

alpha-Methyl-gamma-butyrolactone 98.0+%, TCI America™