Isotopically Labeled Compounds
Thermo Scientific Chemicals 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
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
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]
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
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
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]
Chloroform-d, for NMR, 99.8% atom D, packaged in 1mL ampoules, Thermo Scientific Chemicals
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
Toluene-d8, 99.6%(Isotopic), Thermo Scientific Chemicals
CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: toluene-d8,2h8 toluene,perdeuteriotoluene,benzene-d5, methyl-d3,perdeuterotoluene,benzene-d5-, methyl-d3,1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene,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
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]
Acetonitrile - D3, deuteration degree min. 99% for NMR spectroscopy MagniSolv™, MilliporeSigma™
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: (²H₃)acetonitrile SMILES: [2H]C([2H])([2H])C#N
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
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
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
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]
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]