Isotopically Labeled Compounds
Trifluoroacetic acid-d, for NMR, packaged in 1 ml ampoules, 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 Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O
Dimethyl sulfoxide - D6, w/TMS (0.1vol.%), deuteratn. deg. min.99.9% for NMR MagniSolv™, MilliporeSigma™
CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.17 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: (²H₃)methanesulfinyl(²H₃)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Acetic acid-d{4}, 99.5% (Isotopic)
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 SMILES: [2H]OC(=O)C([2H])([2H])[2H]
Acetonitrile-d3, for NMR, 99.8 atom% D, AcroSeal™
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
Toluene-d8, for NMR, 99.5+ atom % D
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 oxide, for NMR, 100 atom % D, AcroSeal™
Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]
1,1,2,2-Tetrachloroethane-d2, for NMR, packaged in 0.75 ml ampoules, 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
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]
Acetone-d6, for NMR, packaged in 0.75 ml ampoules, 99.9 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
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
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]
Methyl sulfoxide-d6, for NMR, 100.0 atom % D, min. 99.96 atom % D
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
Deuterium oxide, for NMR, 100.0 atom % D
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]
Methanol-d4, for NMR, contains 0.03 v/v% TMS, 99.8% atom% D, AcroSeal™
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