Basic information
- CAS
25726-04-9- Standard SMILES
O=C(Cl)C(=O)c1ccccc1- InChIKey
BNGOFPJWZUXKNR-UHFFFAOYSA-N- Molecular formula
- C8H5ClO2
- Average molar mass
- 168.57 g/mol
- Monoisotopic mass
- 167.9978071
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylacetyl chloride
- IUPAC
- 2-oxo-2-phenylacetyl chloride
- English name
- Benzeneacetyl chloride, alpha-oxo- (9CI)
- Molecular formula
- C8H5ClO2
- Molecular weight
- 168.58
Names & synonyms
2-oxo-2-phenylacetyl chloride25726-04-9DTXSID80454582RefChem:264853DTXCID10405401Benzeneacetyl chloride, a-oxo-oxo(phenyl)acetyl chloridebenzoylformyl chloride2-oxo-2-phenyl-acetyl Chloridephenylglyoxylyl chloridephenylglyoxyloyl chloridebenzoylformic acid chloride
Show more names
Benzeneacetyl chloride, α-oxo-Benzeneacetyl chloride, alpha-oxo- (9CI)
phenylglyoxylic acid chlorideSCHEMBL263843BNGOFPJWZUXKNR-UHFFFAOYSA-NABA72604CS-0235628EN300-1590591F653441
Database identifiers
- CAS
25726-04-9- PubChem CID
- 11084294
- DTXSID
DTXSID80454582- Nikkaji
- J1.239.757G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 9 Torr)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
13 records
Compound notes
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