Isotopically Labeled Compounds

Methanol-d4, Packaged in 0.75mL Ampules 99.8 atom% D, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Methyl sulfoxide-d6, for NMR, packaged in 0.75mL ampoules, 99.9 atom % D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Chloroform-d, for NMR, 99.8% atom D, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Methanol-d4, for NMR, 99.8% atom D, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Deuterium oxide, for NMR, 99.8 atom % D, ACROS Organics™

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.027 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterated water, deuterium oxide, deuterium oxide usan, dideuterium oxide, heavy water, heavy water d2o, heavy water-d2, water sup 2-h2, water, heavy d2-o, water-d2 PubChem CID: 24602 ChEBI: CHEBI:41981 SMILES: O

Methanol-d4, for NMR, 99.6+% atom D, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Methyl sulfoxide-d6, for NMR, 99.5+% atom D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Chloroform-d, for NMR, 99.8+% atom D, contains 0.03 v/v% TMS, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Methyl sulfoxide-d6, for NMR, 99.9 atom% D, AcroSeal™, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2D6OS Molecular Weight (g/mol): 84.18 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methyl sulfoxide-d6, for NMR, 99.9% atom D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methyl Sulfoxide-d6, for NMR, with 0.03% TMS, in 0.75mL ampoules, 99.9 atom% D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Trifluoroacetic acid-d, for NMR, 99.5% atom D, ACROS Organics™

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

Dichloromethane-d2, 99.9% (Isotopic), Alfa Aesar™

CAS: 1665-00-5 MDL Number: MFCD00000882 Synonym: cd2cl2, deuterated dichloromethane, dichloro 2h2 methane, dichloro dideuterio methane, dichloromethane-d', 99.96 atom % d, dichloromethane-d2, dichloromethane-d2, 99.9 atom % d, dideuteromethylene chloride, methane-d2, dichloro, methylene chloride-d2

Methyl sulfoxide-d6, for NMR, with 0.03% TMS, 99.9 atom% D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

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

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Dichloromethane-d2, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D, ACROS Organics™

CAS: 1665-00-5 Molecular Formula: CH2Cl2 Molecular Weight (g/mol): 86.939 MDL Number: MFCD00000882 InChI Key: YMWUJEATGCHHMB-DICFDUPASA-N Synonym: cd2cl2, deuterated dichloromethane, dichloro 2h2 methane, dichloro dideuterio methane, dichloromethane-d', 99.96 atom % d, dichloromethane-d2, dichloromethane-d2, 99.9 atom % d, dideuteromethylene chloride, methane-d2, dichloro, methylene chloride-d2 PubChem CID: 160586 IUPAC Name: dichloro(dideuterio)methane SMILES: C(Cl)Cl

Dimethyl sulfoxide-d6, 99.5% (Isotopic), Alfa Aesar™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

N,N-Dimethylformamide-d7, for NMR, packaged in 0.75mL ampoules, 99.5% atom D, ACROS Organics™

CAS: 4472-41-7 Molecular Formula: C3H7NO Molecular Weight (g/mol): 80.138 MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: deuterated dmf, dimethyl formamide-d7, dimethylformamide d, dmf-d7, formamide-1-d, n,n-di methyl-d3, heptadeutero-n,n-dimethylformamide, n,n-di 2h3 methyl 2h formamide, n,n-dimethylformamide-d7, n,n-dimethylformamide-d7 99.5atom%d, n,n-dimethylformamide-d7 dmf-d7 PubChem CID: 78225 IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide SMILES: CN(C)C=O

Methyl sulfoxide-d6, for NMR, contains 0.03% TMS, 99.8 atom% D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Toluene-d8, for NMR, +99% atom D, ACROS Organics™

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: 1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene, 2h8 toluene, benzene-d5, methyl-d3, benzene-d5-, methyl-d3, perdeuteriotoluene, perdeuterotoluene, toluene d8, 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

N,N-Dimethylformamide-d7, for NMR, 99.5% atom D, ACROS Organics™

CAS: 4472-41-7 Molecular Formula: C3H7NO Molecular Weight (g/mol): 80.138 MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: deuterated dmf, dimethyl formamide-d7, dimethylformamide d, dmf-d7, formamide-1-d, n,n-di methyl-d3, heptadeutero-n,n-dimethylformamide, n,n-di 2h3 methyl 2h formamide, n,n-dimethylformamide-d7, n,n-dimethylformamide-d7 99.5atom%d, n,n-dimethylformamide-d7 dmf-d7 PubChem CID: 78225 IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide SMILES: CN(C)C=O

Chloroform-d, for NMR, 99.8% atom D, ACROS Organics™, packaged in 0.75mL ampoules, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Chloroform-d, for NMR, 99.8% atom D, contains 1 v/v% TMS, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

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

CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.022 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N Synonym: 1,2-dichloro-3,4,5,6-tetradeuterobenzene, 1,2-dichlorobenzene d4, 1,2-dichlorobenzene-d4, 1,2-dichlorobenzene-d4, 98 atom % d, 1,2-dichlorobenzene-d4,98atom%d, benzene-1,2,3,4-d4, 5,6-dichloro, benzene-1,2,3,4-d4-, 5,6-dichloro, deuterated 1,2-dichlorobenzene, o-dichloro 2h4 benzene, tetradeutero-1,2-dichlorobenzene PubChem CID: 519913 IUPAC Name: 1,2-dichloro-3,4,5,6-tetradeuteriobenzene SMILES: C1=CC=C(C(=C1)Cl)Cl

Acetonitrile-d3, for NMR, 99% atom D, ACROS Organics™

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.071 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: 2h3 acetonitrile, acetonitrile-2,2,2-d3, acetonitrile-d isotopic 5g, acetonitrile-d3, acetonitrile-d3, 99.8 atom % d, acetonitrile-d3, >=99.8 atom % d, cd3cn, methyl-d3 cyanide, trideuteroacetonitrile PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: CC#N

Trifluoroacetic acid-d, for NMR, packaged in 1mL ampoules, 99.5% atom D, ACROS Organics™

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

Methanol-d4, for NMR, with 0.03% TMS, in 0.75mL ampoules, 99.8% atom D, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Ethanol-d6, for NMR, anhydrous, 99% atom D, ACROS Organics™

CAS: 1516-08-1 Molecular Formula: C2H6O Molecular Weight (g/mol): 52.106 MDL Number: MFCD00051020 InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N Synonym: 2 h? ethan 2 h ol, 2h6 ethanol, ethanol d, ethanol-d6, ethanol-d6 9ci, ethyl alcohol-d6, ethyl-d5 alcohol-d, hexadeuteroethanol PubChem CID: 102138 IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane SMILES: CCO

Acetone-d6, for NMR, +99% atom D, ACROS Organics™

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: 2-propanone-1,1,1,3,3,3-d6, 2h6 acetone, acetone d6, acetone-d6, cd3 2co, d6-acetone, deuterated acetone, hexadeuteroacetone, perdeuteroacetone, unii-b0n19b53h8 PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Acetone-d6, for NMR, 99.5 atom % D, ACROS Organics™

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: 2-propanone-1,1,1,3,3,3-d6, 2h6 acetone, acetone d6, acetone-d6, cd3 2co, d6-acetone, deuterated acetone, hexadeuteroacetone, perdeuteroacetone, unii-b0n19b53h8 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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