Isotopically Labeled Compounds
Thermo Scientific Chemicals Methyl sulfoxide-d6,
Molecular Formula: C2D6OS Molecular Weight (g/mol): 84.18
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
1,2-Dichloroethane-d{4}, 99% (Isotopic)
CAS: 17060-07-0 Molecular Formula: C2H4Cl2 Molecular Weight (g/mol): 102.978 MDL Number: MFCD00037531 InChI Key: WSLDOOZREJYCGB-LNLMKGTHSA-N Synonym: 1,2-dichloroethane-d4,1,2-dichloroethane d4,ethylene-d4 dichloride,dichloro 2 h? ethane,1,2-dichloroethane-d4, 99 atom % d,1,2-dichloroethane-d4 98.0 atom % d,1,2-dichloroethane-d4, analytical standard,1,2-dichloroethane d4 2000 ng/microl in methanol PubChem CID: 12197860 IUPAC Name: 1,2-dichloro-1,1,2,2-tetradeuterioethane SMILES: C(CCl)Cl
Acetone-d{6}, 99.9% (Isotopic)
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
Ammonium-d{4} deuteroxide, 99% (Isotopic), 23.0-27.0 wt% soln. in D{2}O
CAS: 12168-30-8 Molecular Formula: H5NO Molecular Weight (g/mol): 40.077 MDL Number: MFCD00064511 InChI Key: VHUUQVKOLVNVRT-NSPFYZSMSA-N Synonym: ammonium deuteroxide,ammonium-d4 deuteroxide solution, 25 wt. % in d2o, 99 atom % d PubChem CID: 16211396 SMILES: N.O
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]
Ethylbenzene-d10, for NMR, packaged in ampoules, 99+ atom% D
CAS: 25837-05-2 Molecular Formula: C8H10 Molecular Weight (g/mol): 116.229 MDL Number: MFCD00044343 InChI Key: YNQLUTRBYVCPMQ-CFTAVCBPSA-N Synonym: ethylbenzene-d10,2h10 ethylbenzene,benzene-d5, ethyl-d5,benzene-1,2,3,4,5-d5, 6-ethyl-1,1,2,2,2-d5,1,2,3,4,5-pentadeuterio-6-1,1,2,2,2-pentadeuterioethyl benzene,decadeuteroethylbenzene,ethylbenzene-d10, 99 atom % d,1-2 h? ethyl 2 h? benzene,ethylbenzene d10 2000 ng/microl in methanol,benzene-1,2,3,4,5-d5,6-ethyl-1,1,2,2,2-d5 PubChem CID: 117648 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene SMILES: CCC1=CC=CC=C1
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
1,1,2,2-Tetrachloroethane-d{2}, 99.5% (Isotopic)
CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 MDL Number: MFCD00037672 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
Deuterium chloride, 20% w/w in D{2}O, 99.96% (Isotopic), Thermo Scientific Chemicals
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
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]
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
Acetic-d3 acid-d, for NMR, 99.5 atom % D, packaged in 0.75 ml ampoules
CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N IUPAC Name: (²H₃)ethan(²H)oic acid SMILES: [2H]OC(=O)C([2H])([2H])[2H]
Chloroform-d, 100% (Isotopic), contains 0.03% v/v TMS
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
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