Marvin  06190621132D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:36015

> <NAME>
1,1,1-trichloroethane

> <DEFINITION>
A member of the class of chloroethanes carrying three chloro substituents at position 1.

> <STAR>
3

> <SYNONYM>
trichloro-1,1,1-ethane; methyltrichloromethane; Methylchloroform; methylchloroform; alpha-trichloroethane; alpha-T; 1,1,1-trichlorethane; 1,1,1-Trichloraethan; 1,1,1-TCE

> <IUPAC_NAME>
1,1,1-trichloroethane

> <FORMULA>
C2H3Cl3

> <MASS>
133.40332

> <MONOISOTOPIC_MASS>
131.93003

> <CHARGE>
0

> <SMILES>
CC(Cl)(Cl)Cl

> <INCHI>
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

> <INCHIKEY>
UOCLXMDMGBRAIB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1731614

> <CAS_REGISTRY_NUMBER>
71-55-6

> <GMELIN_REGISTRY_NUMBER>
82076

> <REAXYS_REGISTRY_NUMBER>
1731614

> <CHEMIDPLUS>
71-55-6

> <KEGG_COMPOUND_ACCESSION>
C18246

> <NIST_CHEMISTRY_WEBBOOK>
71-55-6

> <WIKIPEDIA_ACCESSION>
1,1,1-Trichloroethane

> <PUBMED_CITATION>
16541244; 20536226; 23102696

$$$$