Acetic acid, 1-methyl-2,2,2-trichloroethyl ester
Basic information
- CAS
19376-15-9- Standard SMILES
CC(=O)OC(C)C(Cl)(Cl)Cl- InChIKey
YFLDUTFKTAURAE-UHFFFAOYSA-N- Molecular formula
- C5H7Cl3O2
- Average molar mass
- 205.46 g/mol
- Monoisotopic mass
- 203.951163
Names & identifiers
- Preferred name
- Acetic acid, 1-methyl-2,2,2-trichloroethyl ester
- IUPAC
- 1,1,1-trichloropropan-2-yl acetate
- English name
- Acetic acid 1-methyl-2,2,2-trichloroethyl ester
- Molecular formula
- C5H7Cl3O2
- Molecular weight
- 205.47
Names & synonyms
19376-15-9ACETIC ACID, 1-METHYL-2,2,2-TRICHLOROETHYL ESTERRefChem:10756761,1,1-trichloropropan-2-yl acetateTrichloroisopropyl acetateAcetic acid, ester with alpha-trichloroisopropanolBRN 1760560Acetic acid 1-methyl-2,2,2-trichloroethyl ester0-02-00-00130 (Beilstein Handbook Reference)SCHEMBL27263431DTXSID009410602,2,2-trichloroisopropyl acetate
Show more names
2-Propanol, 1,1,1-trichloro-, 2-acetateAcetic acid 2,2,2-trichloro-1-methylethyl ester
Database identifiers
- CAS
19376-15-9- PubChem CID
- 29560
- DTXSID
DTXSID00941060- Nikkaji
- J54.951G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 57 · 57-57.5 °C(Press: 8 Torr)
- Density
- 1.3737 g/cm3 · 1.3737 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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