Isotopically Labeled Compounds
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
Nitrobenzene-d5, for NMR, 99 atom % D
CAS: 4165-60-0 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 128.14 MDL Number: MFCD00044415 InChI Key: LQNUZADURLCDLV-RALIUCGRSA-N Synonym: nitrobenzene-d5,benzene-d5, nitro,nitrobenzene d5,benzene-d5-, nitro,1-nitro 2 h? benzene,nitrobenzene-d5, 99.5 atom % d,nitro 2h5 benzene,1-nitro 2h5 benzene,2h5 benzene, nitro,nitrobenzene-d5, analytical standard PubChem CID: 123210 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-nitrobenzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])[N+]([O-])=O
Ethanol-d, for NMR, 99.5+ atom % D
CAS: 925-93-9 Molecular Formula: C2H6O Molecular Weight (g/mol): 47.075 MDL Number: MFCD00044669 InChI Key: LFQSCWFLJHTTHZ-WFVSFCRTSA-N Synonym: ethanol-d,ethanol-d1,deuteroethanol,ethyl alcohol-d,ethyl 2 alcohol,ethanol-od,etod,ethan ol-d,ethanol-d 9ci,o-2h ethanol PubChem CID: 123093 IUPAC Name: deuteriooxyethane SMILES: CCO
Naphthalene-d8, for NMR, 98+ atom % D
CAS: 1146-65-2 Molecular Formula: C10H8 Molecular Weight (g/mol): 136.22 MDL Number: MFCD00001743 InChI Key: UFWIBTONFRDIAS-PGRXLJNUSA-N Synonym: naphthalene-d8,2h8 naphthalene,perdeuteronaphthalene,naphthalene d8,perdeuterated naphthalene,2 h? naphthalene,naphthalene-d8, analytical standard,naphthalene-d8 >98.0 atom % d,naphthalene d8 10 microg/ml in cyclohexane PubChem CID: 92148 IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterionaphthalene SMILES: [2H]C1=C([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])=C1[2H]
Acetone-d6, for NMR, 99.8 atom % D, AcroSeal™
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
Methyl sulfoxide-d6, for NMR, packaged in 0.50 ml ampoules, 100.0 atom % D
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: trideuterio(trideuteriomethylsulfinyl)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Methanol-d4, for NMR, contains 0.03 v/v% TMS, 99.8 atom % D
CAS: 811-98-3 Molecular Formula: CH4O MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: trideuterio deuteriooxy methane,perdeuteromethanol,methyl-d3 alcohol-d,methan-d3-ol-d,methyl alcohol-d4,tetradeuteromethanol,2h4 methanol,cd3od,methanol-d4,methanol-d4, 99.8 atom % d PubChem CID: 71568
Chloroform - D1, deuteration degree min. 99.96% for NMR spectroscopy, MagniSolv™, MilliporeSigma™
CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 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
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]
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]
Acetone-d6, for NMR, with 0.03% TMS, 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
Chloroform-d, for NMR, 99.8 Atom % D, AcroSeal™
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
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
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]