Isotopically Labeled Compounds
Deuterium oxide, deuteration degree min. 99.9% for NMR spectroscopy MagniSolv™, MilliporeSigma™
CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [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-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
Methanol-d3, for NMR, 99.5 atom % D
CAS: 1849-29-2 Molecular Formula: CH4O Molecular Weight (g/mol): 35.06 MDL Number: MFCD00055877 InChI Key: OKKJLVBELUTLKV-FIBGUPNXSA-N Synonym: methanol-d3,methan-d3-ol,2h3 methanol,methyl-d3 alcohol,methan-d3-ol 6ci,7ci,8ci,9ci,cd3oh,1,1,1-trideuteromethanol,methanol d,1,1,1-2h3 methanol,methanol-d3, 99.8 atom % d PubChem CID: 123132 IUPAC Name: trideuteriomethanol SMILES: CO
Trifluoroacetic acid-d, for NMR, 99.5 atom % D
CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O
Toluene-d{8}, 100% (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
Deuterium chloride, 20% w/w in D{2}O, 99.5% (Isotopic)
CAS: 7698-05-7 Molecular Formula: ClH Molecular Weight (g/mol): 36.46 MDL Number: MFCD00011266 InChI Key: VEXZGXHMUGYJMC-FTGQXOHASA-N Synonym: Hydrogen chloride, deuterated IUPAC Name: proton chloride SMILES: [1H+].[Cl-]
Deuterium bromide, 48% w/w in D{2}O, 99+% (Isotopic)
CAS: 13536-59-9 Molecular Formula: BrH Molecular Weight (g/mol): 81.918 MDL Number: MFCD00044232 InChI Key: CPELXLSAUQHCOX-DYCDLGHISA-N Synonym: deuterium bromide,hydrobromic acid-d,deutero-bromide,dbr solution,deuterium bromide solution,bromo 2 h,deuterium bromide, 99 atom % d,deuterium bromide w/w in d2o,deuterium bromide 98.0atom%d in d2o,deuterium bromide solution, 47 wt. % in d2o, 99 atom % d PubChem CID: 518779 SMILES: Br
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]
Methyl sulfoxide-d6,
Molecular Formula: C2D6OS Molecular Weight (g/mol): 84.18
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]
1,1,2,2-Tetrachloroethane-d2, for NMR, 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
Styrene-d8, for NMR, 98+ atom% D, stabilized
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
Isopropanol-d8, for NMR, 99+ atom % D
CAS: 22739-76-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 68.15 MDL Number: MFCD00044341 InChI Key: KFZMGEQAYNKOFK-PIODKIDGSA-N Synonym: 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d PubChem CID: 2723972 IUPAC Name: 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane SMILES: [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Dimethyl Sulfoxide 99.0+%, TCI America™
CAS: 67-68-5 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00002089 InChI Key: IAZDPXIOMUYVGZ-UHFFFAOYSA-N Synonym: dimethyl sulfoxide,dmso,methyl sulfoxide,dimethylsulfoxide,dimethyl sulphoxide,methane, sulfinylbis,demsodrox,demasorb,demavet,dimexide PubChem CID: 679 ChEBI: CHEBI:28262 IUPAC Name: methanesulfinylmethane SMILES: CS(C)=O