Basic information
- CAS
4773-35-7- Standard SMILES
CC(=O)C(Cl)c1ccccc1- InChIKey
KFPLPFVPPOJDFF-UHFFFAOYSA-N- Molecular formula
- C9H9ClO
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.0341926
Names & identifiers
- Preferred name
- 1-Chloro-1-phenyl-propan-2-one
- IUPAC
- 1-chloro-1-phenylpropan-2-one
- English name
- 1-CHLORO-1-PHENYL-PROPAN-2-ONE
- Molecular formula
- C9H9ClO
- Molecular weight
- 168.62
Names & synonyms
1-Chloro-1-phenyl-propan-2-one4773-35-71-chloro-1-phenylpropan-2-oneMFCD04614623NSC38444a-chloro-a-phenylacetoneSCHEMBL356020KFPLPFVPPOJDFF-UHFFFAOYSA-NEAA77335NSC-38444AKOS008967086EN300-06746
Show more names
1-Chloro-1-phenylacetone2-Propanone, 1-chloro-1-phenyl-
Database identifiers
- CAS
4773-35-7- PubChem CID
- 236233
- Nikkaji
- J1.063.562D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 122.5 · 122.5-123 °C(Press: 15 Torr)
- Density
- 1.1574 g/cm3 · 1.1574 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
COMBI-BLOCKS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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