Isotopically Labeled Compounds
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
Methanol-d4, for NMR, packaged in 0.75 ml ampoules, 100.0 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
Chloroform-d, for NMR, 100.0 atom % D
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
2,2,2-Trifluoroethanol-d{3}, 99% (Isotopic)
CAS: 77253-67-9 Molecular Formula: C2H3F3O Molecular Weight (g/mol): 103.06 MDL Number: MFCD00037682 InChI Key: RHQDFWAXVIIEBN-IDPMSXFZSA-N Synonym: 2,2,2-trifluoroethanol-d3,1,1-2h2-2,2,2-trifluoroetane-1-2h ol,ethan-1,1-d2-ol-d, 2,2,2-trifluoro,trifluoro 2 h? ethan 2 h ol,2,2,2-trifluoroethanol-d3 >98 atom % d,2,2,2-trifluoroethanol-d3, ≥99.5 atom % d,2,2,2-trifluoroethanol-d3, 99 atom % d cp PubChem CID: 2724851 SMILES: [2H]OC([2H])([2H])C(F)(F)F
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
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
Thermo Scientific Chemicals Toluene-d8, for NMR, 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]
Acetic acid-d, for NMR, 99.5 atom % D
CAS: 758-12-3 Molecular Formula: C2H3O2 Molecular Weight (g/mol): 59.05 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M IUPAC Name: acetate SMILES: CC([O-])=O
Pyridine-d5, for NMR, packaged in 0.75 ml ampoules, 100 atom % D
CAS: 7291-22-7 Molecular Formula: C5H5N Molecular Weight (g/mol): 84.13 MDL Number: MFCD00044639 InChI Key: JUJWROOIHBZHMG-RALIUCGRSA-N IUPAC Name: (²H₅)pyridine SMILES: [2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]
N,N-Dimethylacetamide-d{9}, 99% (Isotopic)
CAS: 116057-81-9 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00066061 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide PubChem CID: 22789542 SMILES: CN(C)C(C)=O
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
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
Dimethyl sulfoxide-d{6}, 100% (Isotopic), contains 0.03% v/v TMS
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]
Nitromethane-d{3}, 99%(Isotopic), Thermo Scientific Chemicals
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
n-Octane-d{18}, 99% (Isotopic)
CAS: 17252-77-6 Molecular Formula: C8H18 Molecular Weight (g/mol): 132.342 MDL Number: MFCD00037626 InChI Key: TVMXDCGIABBOFY-VAZJTQEUSA-N Synonym: octane-d18,2h18 octane,n-octane-d18,2 h?? octane,octane-d18, 98 atom % d,n-octane-d isotopic 1g PubChem CID: 519375 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane SMILES: CCCCCCCC