Isotopically Labeled Compounds
Thermo Scientific Chemicals Pyridine-d5, for NMR, 99.5 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]
Styrene-d{8}, 98% (Isotopic) stab. with 4-tert-butylcatechol
CAS: 19361-62-7 Molecular Formula: C8H8 Molecular Weight (g/mol): 112.201 MDL Number: MFCD00044231 InChI Key: PPBRXRYQALVLMV-GDALLCCDSA-N Synonym: styrene-d8,2h8 styrene,perdeuteriostyrene,benzene-d5, ethenyl-d3,1,2,3,4,5-pentadeuterio-6-1,2,2-trideuterioethenyl benzene,benzene-1,2,3,4,5-d5, 6-ethenyl-1,2,2-d3,styrene d8,phenethylene-d8,phenylethene-d8,vinylbenzene-d8 PubChem CID: 88025 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene SMILES: C=CC1=CC=CC=C1
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
1,1,2,2 - Tetrachloroethane - D2, deuteration deg. min. 99.5% for NMR, MagniSolv™, MilliporeSigma™
CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N Synonym: 1,1,2,2-tetrachloroethane-d2,1,2-dideutero-1,1,2,2-tetrachloroethane,tetrachloro 2 h? ethane,1,1,2,2-tetrachloroethane-d2 tce-d2,ethane-d2, 1,1,2,2-tetrachloro,ethane-1,2-d2, 1,1,2,2-tetrachloro,1,1,2,2-tetrachloro-1,2-2h2 ethane,de87d,1,1,2,2-tetrachloroethane-d2 >99.50 atom % d,1,1,2,2-tetrachloroethane-d2, ≥99.5 atom % d PubChem CID: 118531 IUPAC Name: 1,1,2,2-tetrachloro-1,2-dideuterioethane SMILES: C(C(Cl)Cl)(Cl)Cl
Ethylene glycol-d{6}, 98% (Isotopic)
CAS: 15054-86-1 Molecular Formula: C2H6O2 Molecular Weight (g/mol): 68.11 MDL Number: MFCD00078666 InChI Key: LYCAIKOWRPUZTN-UFSLNRCZSA-N Synonym: ethylene glycol-d6,1,1,2,2-2h4 ethane-1,2-2h2 diol,1,2-ethane-1,1,2,2-d4-diol-d2,2 h? ethane-1,2-di 2 h ol,ethylen-d4 glycol-d2,ethylene glycol d6,ethylene glycol-d6, 98 atom % d,ethylene glycol-d6 >99.0 atom % d PubChem CID: 2733139 IUPAC Name: (²H₄)ethane-1,2-di(²H)ol SMILES: [2H]OC([2H])([2H])C([2H])([2H])O[2H]
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
Methanol-d{4}, 99.8%(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
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]
Formic acid-d2, for NMR, 99+ atom % D, 95% solution in D2O
CAS: 920-42-3 Molecular Formula: CH2O2 Molecular Weight (g/mol): 48.037 MDL Number: MFCD00037363 InChI Key: BDAGIHXWWSANSR-PFUFQJKNSA-N Synonym: formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d PubChem CID: 123092 IUPAC Name: deuterio deuterioformate SMILES: C(=O)O
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
Deuterium chloride, for NMR, 1M solution in D2O, 99.8 atom% D, AcroSeal™
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
Acetone-d6, for NMR, packaged in 0.75ml ampoules, 100.0 atom % D
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
Sodium deuteroxide, for NMR, 30 wt% solution in D2O, 99+ atom % D
CAS: 14014-06-3 Molecular Formula: HNaO Molecular Weight (g/mol): 41.003 MDL Number: MFCD00037669 InChI Key: HEMHJVSKTPXQMS-DYCDLGHISA-M Synonym: sodium deuteroxide,sodium hydroxide na od,sodium deuteroxide, 40 wt% in deuterium oxide,naod,sodium hydroxide-d,sodium deuteroxide solution,sodium deuteroxide, 1 m in deuterium oxide,sodium deuteroxide, 0.1 m in deuterium oxide,sodium deuteroxide, 30 wt% in deuterium oxide,sodium hydroxide na od 6ci,7ci,8ci,9ci PubChem CID: 23676750 SMILES: [OH-].[Na+]
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
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