Isotopically Labeled Compounds
Toluene-d8, for NMR, 99.5 atom % D, with 0.03% TMS
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
Thermo Scientific Chemicals Methyl sulfoxide-d6, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D
Molecular Formula: C2D6OS Molecular Weight (g/mol): 84.18
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]
Tetrahydrofuran-d{8}, 99.5% (Isotopic)
CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
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
n-Pentane-d{12}, 98%(Isotopic)
CAS: 2031-90-5 Molecular Formula: C5H12 Molecular Weight (g/mol): 84.224 MDL Number: MFCD00190495 InChI Key: OFBQJSOFQDEBGM-HYVJACIRSA-N Synonym: pentane-d12,n-pentane-d12,2 h?? pentane,pentane-d12, 98 atom % d PubChem CID: 137286 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane SMILES: CCCCC
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
Chloroform-d, for NMR, 99.6+ atom % D
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
Methanol-d{4}, 100%(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
Deuterium chloride 20% soln. in D2O, deuteration. deg. min. 99.5%, for NMR, MagniSolv™, MilliporeSigma™
CAS: 7705-07-9 Molecular Formula: Cl3Ti Molecular Weight (g/mol): 154.22 MDL Number: MFCD00011266 InChI Key: YONPGGFAJWQGJC-UHFFFAOYSA-K IUPAC Name: titanium(3+) trichloride SMILES: [Cl-].[Cl-].[Cl-].[Ti+3]
Toluene-d8, for NMR, 100.0 atom % D
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
Acetonitrile-d3, for NMR, packaged in 0.75 ml ampoules, 99.9 atom % D
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
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+]
Bromobenzene-d5, for NMR, 99.5 atom% D
CAS: 4165-57-5 Molecular Formula: C6H5Br Molecular Weight (g/mol): 162.04 MDL Number: MFCD00000056 InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N IUPAC Name: 1-bromo(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]
Tetrahydrofuran-d{8}, 100%(Isotopic), Thermo Scientific Chemicals
CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]