(2-Chloro-2-oxo-1-phenylethyl)ammonium chloride
Basic information
- CAS
5321-31-3- Standard SMILES
[Cl-].[NH3+]C(C(=O)Cl)c1ccccc1- InChIKey
GVVFCAFBYHYGEE-UHFFFAOYSA-N- Molecular formula
- C8H9Cl2NO
- Average molar mass
- 206.07 g/mol
- Monoisotopic mass
- 205.0061193
Overview
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Names & identifiers
- Preferred name
- (2-Chloro-2-oxo-1-phenylethyl)ammonium chloride
- IUPAC
- (2-chloro-2-oxo-1-phenylethyl)azanium chloride
- English name
- (2-chloro-2-oxo-1-phenylethyl)ammonium chloride
- Molecular formula
- C8H8ClNO.ClH
- Molecular weight
- 206.07
Names & synonyms
5321-31-3(2-Chloro-2-oxo-1-phenylethyl)ammonium chlorideNS00045863Einecs 226-181-8(S)-2-Amino-2-phenylacetyl?chloride?hydrochlorideBenzeneacetyl chloride, alpha-amino-, hydrochloride, (alphas)-Benzeneacetyl chloride, alpha-amino-, hydrochloride (1:1), (alphas)-
Database identifiers
- CAS
5321-31-3- PubChem CID
- 53420366
- EC Number
- 226-181-8
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- EPA Substance Registry System
- Benzeneacetyl chloride, .alpha.-amino-, hydrochloride, (.alpha.S)- (5321-31-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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