Isotopically Labeled Compounds
Chlorobenzene-d{5}, 99% (Isotopic), Thermo Scientific Chemicals
CAS: 3114-55-4 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 117.587 MDL Number: MFCD00000531 InChI Key: MVPPADPHJFYWMZ-RALIUCGRSA-N Synonym: chlorobenzene-d5,chloro 2h5 benzene,1-chloro 2 h? benzene,chlorobenzene d5,benzene-d5, chloro,2h5 phenyl chloride,1-chloro 2h5 benzene,benzene-d5-, chloro,chlorobenzene, perdeutero,chlorobenzene-d5, 99 atom % d PubChem CID: 575975 IUPAC Name: 1-chloro-2,3,4,5,6-pentadeuteriobenzene SMILES: C1=CC=C(C=C1)Cl
Pyridine-d{5}, 100%(Isotopic)
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]
Chloroform-d, 99.8% (Isotopic)
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
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
Acetonitrile-d{3}, 99.8% (Isotopic)
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
Pyridine-d{5}, 99.5% (Isotopic), contains 0.05% v/v TMS
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]
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
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]
Chloroform-d, 100% (Isotopic), 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
Ethanol-d{6}, anhydrous, 99+% (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
Acetic-d3 acid-d, for NMR, 99.5 atom % D
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 IUPAC Name: deuterio 2,2,2-trideuterioacetate SMILES: [2H]OC(=O)C([2H])([2H])[2H]
Dichloromethane-d2, for NMR, packaged in 1.00 ml ampoules, 99.6+ atom % D, Thermo Scientific Chemicals
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
Acetic anhydride-d6, for NMR, 98.5 atom % D
CAS: 16649-49-3 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 108.13 MDL Number: MFCD00044225 InChI Key: WFDIJRYMOXRFFG-WFGJKAKNSA-N Synonym: acetic anhydride-d6,2h3 acetic anhydride,acetic anhydride d6,2h3 acetyl 2h3 acetate,acetic anhydride-d6, 99 atom % d,2 h? acetyl 2 h? acetate,2,2,2-trideuterioacetyl 2,2,2-trideuterioacetate PubChem CID: 2723966 IUPAC Name: (2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate SMILES: [2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]
n-Hexane-d14, for NMR, 99+ atom % D
CAS: 21666-38-6 Molecular Formula: C6H14 Molecular Weight (g/mol): 100.26 MDL Number: MFCD00037562 InChI Key: VLKZOEOYAKHREP-ZLKPZJALSA-N Synonym: hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d PubChem CID: 140854 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Thermo Scientific Chemicals Toluene-d8, for NMR, packaged in 0.75 ml ampoules, 99.5 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]