1-(p-Chlorophenyl)acetone (HCID 79699)

Names & identifiers

Preferred name: 1-(p-Chlorophenyl)acetone
IUPAC: 1-(4-chlorophenyl)propan-2-one
English name: 4-Chlorophenylacetone
Molecular formula: C9H9ClO
Molecular weight: 168.62

Names & synonyms

5586-88-91-(4-chlorophenyl)propan-2-one1-(4-Chlorophenyl)acetone1-(p-Chlorophenyl)acetone2-Propanone, 1-(4-chlorophenyl)-1-(4-Chlorophenyl)-2-propanonep-(Chlorophenyl)acetoneMethyl p-chlorobenzyl ketone4-chlorobenzyl methyl ketoneI2FE1ERE85NSC 22985(p-chlorophenyl)acetone

Show more names

4-Chlorphenylaceton4-chorophenylacetone4-CHLOROPHENYLACETONE4'-CHLOROPHENYLACETONE4-Chlorophenylacetone,98%

(4-chlorophenyl)acetoneEINECS 226-986-4NSC-22985UNII-I2FE1ERE852-Propanone,p-chlorophenyl-DTXSID90204459P-CHLOROPHENYL-2-PROPANONEP-CHLOROBENZYL METHYL KETONE

Database identifiers

CAS: 5586-88-9
PubChem CID: 79699
DTXSID: DTXSID90204459
UNII: I2FE1ERE85
EC Number: 226-986-4
Nikkaji: J225.043H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 6 · 6-8 °C
Boiling point: 132 °C · 132 °C
Density: 1.151 · 1.151
refractive index: 1.5325 · 1.5325-1.5345
Flash point: 110 ℃ · >110℃
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Clear light yellow
InChI: 1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey: WEJRYKSUUFKMBC-UHFFFAOYSA-N
SMILES: CC(=O)Cc1ccc(Cl)cc1
CAS DataBase Reference: 5586 · 5586-88-9(CAS DataBase Reference)
FDA UNII: 2 FE1ERE85 · I2FE1ERE85
NIST Chemistry Reference: 2 · 2-Propanone,p-chlorophenyl-(5586-88-9)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 264 · P264-P270-P273-P301+P312-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-52
Safety Statements: 24 · 24/25
WGK Germany: 3 · WGK 3
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

wgk: WGK 3
hs_code: 29147000
risk_code: 22-52
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H412
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
Precautionary statements: P264-P270-P273-P301+P312-P501

Chemistry & industry

Applications

Uses4-Chlorophenylacetone is a phenylacetone derivative used in the preparation of biologically active compounds such as anorectic agents.

Preparation methods · 1 item

PreparationAt present, there are three main synthetic routes for 4-chlorophenylacetone. The first is to synthesize 4-chlorophenylacetone with sodium p-chlorobenzenesulfonate and acetone as raw materials, with a yield of about 54%. The second synthesis route is to synthesize 4-chlorophenylacetone with p-chlorobenzenesulfonyl chloride and chloroacetone as raw materials. The third synthesis route is to synthesize 4-chlorophenylacetone from chloroacetone.