Isotopically Labeled Compounds
Deuterosulfuric acid, 96% min in D{2}O, 99.5% (Isotopic)
CAS: 13813-19-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 100.08 MDL Number: MFCD00003542 InChI Key: QAOWNCQODCNURD-ZSJDYOACSA-N Synonym: sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic PubChem CID: 160992 IUPAC Name: dideuterio sulfate SMILES: [2H]OS(=O)(=O)O[2H]
Acetic-d3 acid-d, for NMR, 99.5 atom % D, packaged in 0.75 ml ampoules
CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N IUPAC Name: (²H₃)ethan(²H)oic acid SMILES: [2H]OC(=O)C([2H])([2H])[2H]
Toluene-d8, for NMR, 99.5 atom % D, AcroSeal™
CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 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
Pyridine-d5, for NMR, with 0.03% TMS, 100.0 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]
Acetic acid-d, for NMR, 98 atom % D
CAS: 758-12-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 61.058 MDL Number: MFCD00051050 InChI Key: QTBSBXVTEAMEQO-DYCDLGHISA-N Synonym: acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood PubChem CID: 2723902 IUPAC Name: deuterio acetate SMILES: CC(=O)O
Chlorobenzene-d5, for NMR, 98.5+ atom % D
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
Toluene-d8, for NMR, 100.0 atom % D, packaged in 0.50 ml ampoules
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
n-Heptane-d{16}, 98% (Isotopic)
CAS: 33838-52-7 Molecular Formula: C7H16 Molecular Weight (g/mol): 100.21 MDL Number: MFCD00062744 InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N Synonym: heptane-d16,n-heptane-d 16,2h16 heptane,hexadecadeuterio-heptane,2 h?? heptane,heptane-d16, 99 atom % d PubChem CID: 524600 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane SMILES: CCCCCCC
2,2,2-Trifluoroethanol-d{2}, 98% (Isotopic), Thermo Scientific Chemicals
CAS: 132248-58-9 Molecular Formula: C2H3F3O Molecular Weight (g/mol): 102.052 MDL Number: MFCD00082609 InChI Key: RHQDFWAXVIIEBN-DICFDUPASA-N Synonym: 2,2,2-trifluoroethanol-1,1-d2,trifluoroethanol-d2,2,2,2-trifluoroethanol-d2,trifluoro 2 h? ethanol,2,2,2-trifluoroethyl-1,1-d2 alcohol,2 2 2-trifluoroethyl-1 1-d2 alcohol,2,2,2-trifluoroethanol-1,1-d2 99.5 atom % d,2,2,2-trifluoroethanol-1,1-d2, 99.5 atom % d,2 2 2-trifluoroethyl-1 1-d2 alcohol 99.5 PubChem CID: 12255976 IUPAC Name: 1,1-dideuterio-2,2,2-trifluoroethanol SMILES: C(C(F)(F)F)O
1,2-Dichloroethane-d{4}, 99% (Isotopic)
CAS: 17060-07-0 Molecular Formula: C2H4Cl2 Molecular Weight (g/mol): 102.978 MDL Number: MFCD00037531 InChI Key: WSLDOOZREJYCGB-LNLMKGTHSA-N Synonym: 1,2-dichloroethane-d4,1,2-dichloroethane d4,ethylene-d4 dichloride,dichloro 2 h? ethane,1,2-dichloroethane-d4, 99 atom % d,1,2-dichloroethane-d4 98.0 atom % d,1,2-dichloroethane-d4, analytical standard,1,2-dichloroethane d4 2000 ng/microl in methanol PubChem CID: 12197860 IUPAC Name: 1,2-dichloro-1,1,2,2-tetradeuterioethane SMILES: C(CCl)Cl
Deuterium chloride, 20% w/w in D{2}O, 99.96% (Isotopic), Thermo Scientific Chemicals
CAS: 7698-05-7 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
Acetonitrile-d{3}, 100% (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)
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]
Acetone-d{6}, 100%(Isotopic), contains 0.03% v/v TMS
CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C
Dichloromethane-d2, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D
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