Isotopically Labeled Compounds
Acetone-d{6}, 100%(Isotopic), contains 0.03% v/v TMS
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
1,2-Dichlorobenzene-d{4}, 99% (Isotopic), Thermo Scientific Chemicals
CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.02 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N Synonym: 1,2-dichlorobenzene-d4,1,2-dichlorobenzene d4,benzene-1,2,3,4-d4-, 5,6-dichloro,o-dichloro 2h4 benzene,deuterated 1,2-dichlorobenzene,tetradeutero-1,2-dichlorobenzene,1,2-dichlorobenzene-d4, 98 atom % d,1,2-dichlorobenzene-d4,98atom%d,benzene-1,2,3,4-d4, 5,6-dichloro,1,2-dichloro-3,4,5,6-tetradeuterobenzene PubChem CID: 519913 IUPAC Name: 1,2-dichloro-3,4,5,6-tetradeuteriobenzene SMILES: [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]
Chloroform-d, 100% (Isotopic), Thermo Scientific Chemicals
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
1,1,1,3,3,3-Hexafluoro-2-propanol-d{2}, 98%(Isotopic)
CAS: 38701-74-5 Molecular Formula: C3H2F6O Molecular Weight (g/mol): 170.05 MDL Number: MFCD00037559 InChI Key: BYEAHWXPCBROCE-AWPANEGFSA-N PubChem CID: 2724852 SMILES: [2H]OC([2H])(C(F)(F)F)C(F)(F)F
Ethylene glycol-d{6}, 98% (Isotopic)
CAS: 15054-86-1 Molecular Formula: C2H6O2 Molecular Weight (g/mol): 68.11 MDL Number: MFCD00078666 InChI Key: LYCAIKOWRPUZTN-UFSLNRCZSA-N Synonym: ethylene glycol-d6,1,1,2,2-2h4 ethane-1,2-2h2 diol,1,2-ethane-1,1,2,2-d4-diol-d2,2 h? ethane-1,2-di 2 h ol,ethylen-d4 glycol-d2,ethylene glycol d6,ethylene glycol-d6, 98 atom % d,ethylene glycol-d6 >99.0 atom % d PubChem CID: 2733139 IUPAC Name: (²H₄)ethane-1,2-di(²H)ol SMILES: [2H]OC([2H])([2H])C([2H])([2H])O[2H]
N,N-Dimethylacetamide-d{9}, 99% (Isotopic)
CAS: 116057-81-9 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00066061 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide PubChem CID: 22789542 SMILES: CN(C)C(C)=O
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
Chloroform-d, for NMR, 100 atom % D, packaged in 0.75 ml ampoules
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, 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]
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
Chlorobenzene-d5, for NMR, 98.5+ atom % D
CAS: 3114-55-4 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 117.587 MDL Number: MFCD00000531 InChI Key: MVPPADPHJFYWMZ-RALIUCGRSA-N Synonym: chlorobenzene-d5,chloro 2h5 benzene,1-chloro 2 h? benzene,chlorobenzene d5,benzene-d5, chloro,2h5 phenyl chloride,1-chloro 2h5 benzene,benzene-d5-, chloro,chlorobenzene, perdeutero,chlorobenzene-d5, 99 atom % d PubChem CID: 575975 IUPAC Name: 1-chloro-2,3,4,5,6-pentadeuteriobenzene SMILES: C1=CC=C(C=C1)Cl
1,2-Dichlorobenzene-d4, for NMR, 99 atom % D
CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.02 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N IUPAC Name: dichloro(²H₄)benzene SMILES: [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]
Methanol-d4, for NMR, 100.0 atom % D
CAS: 811-98-3 Molecular Formula: CD4O Molecular Weight (g/mol): 36.06
Acetic acid-d, for NMR, 99.5 atom % D
CAS: 758-12-3 Molecular Formula: C2H3O2 Molecular Weight (g/mol): 59.05 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M IUPAC Name: acetate SMILES: CC([O-])=O
Chloroform-d, for NMR, 99.8 atom % D,with 0.1 v/v% TMS, stab. with silver
CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.38 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N IUPAC Name: trichloro(²H)methane SMILES: [2H]C(Cl)(Cl)Cl