CAS 700-35-6 2'-Chloro-4'-fluoroacetophenone (HCID 2736507)

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Basic information

CAS: 700-35-6
Standard SMILES: CC(=O)c1ccc(F)cc1Cl
InChIKey: CSEMGLVHVZRXQF-UHFFFAOYSA-N
Molecular formula: C8H6ClFO
Average molar mass: 172.58 g/mol
Monoisotopic mass: 172.00912071

Names & identifiers

Preferred name: 2'-Chloro-4'-fluoroacetophenone
IUPAC: 1-(2-chloro-4-fluorophenyl)ethanone
English name: 2'-Chloro-4'-fluoroacetophenone
Molecular formula: C8H6ClFO
Molecular weight: 172.58

Names & synonyms

700-35-61-(2-chloro-4-fluorophenyl)ethanone2'-CHLORO-4'-FLUOROACETOPHENONEDTXSID70371411RefChem:439602DTXCID90322445615-053-01-(2-Chloro-4-fluorophenyl)ethan-1-oneMFCD00042202Ethanone, 1-(2-chloro-4-fluorophenyl)-AKOS001160394CS-W008455

Show more names

2'-Chloro-4'-fluoroacetophenone99%2'-Chloro-4'-fluoroacetophenone >Ethanone,1-(2-chloro-4-fluorophenyl)-2-Chloro-4-fluorophenyl methyl ketone2'-Chloro-4'-fluoroacetophenone, 98+%2′-Chloro-4′-fluoroacetophenone, CAS 700-35-6

DS-1752PS-8657EN300-14853Z1073341621-acetyl-2-chloro-4-fluorobenzene2 inverted eAM62518FT-0611756

Database identifiers

CAS: 700-35-6
PubChem CID: 2736507
DTXSID: DTXSID70371411
EC Number: 615-053-0
Nikkaji: J504.436G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 110 °C · 110°C 19mm
Density: 1.258 · 1.258±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.525 · 1.525
Flash point: 110 °C/19mm · 110°C/19mm
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
BRN: 2249796 · 2249796
CAS DataBase Reference: 700 · 700-35-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 22 · 22-36/38

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

ridadr: 2810
hs_code: 2914790090
risk_code: 22-36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a