CAS 175711-83-8 1-(4-Chloro-2-fluorophenyl)ethan-1-one (HCID 15030552)

Substructure search Find similar structures

Basic information

CAS: 175711-83-8
Standard SMILES: CC(=O)c1ccc(Cl)cc1F
InChIKey: OIGMDNONQJGUCF-UHFFFAOYSA-N
Molecular formula: C8H6ClFO
Average molar mass: 172.58 g/mol
Monoisotopic mass: 172.0091207

Names & identifiers

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

Names & synonyms

175711-83-81-(4-Chloro-2-fluorophenyl)ethanone1-(4-Chloro-2-fluorophenyl)ethan-1-oneDTXSID90567213RefChem:425126DTXCID60517987605-759-74'-Chloro-2'-fluoroacetophenone4-chloro-2-fluoroacetophenoneMFCD04116328Ethanone, 1-(4-chloro-2-fluorophenyl)-SCHEMBL325429

Show more names

-fluoroacetophenone4''-Chloro-2''-fluoroacetophenone4'-Chloro-2'-fluoroacetophenone, 98%4′-Chloro-2′-fluoroacetophenone, CAS 175711-83-84-Chloro-2-fluoroacetophenone 1-(4-Chloro-2-fluorophenyl)ethanone

CL86664 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetophenonePS-86591-(4-chloro-2-fluoro-phenyl)-ethanoneSY011386EN300-1236414/'/'-CHLORO-2/'/'-FLUOROACETOPHENONE1-(4-chloro-2-fluoro-phenyl)ethanone

Database identifiers

CAS: 175711-83-8
PubChem CID: 15030552
DTXSID: DTXSID90567213
EC Number: 605-759-7

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: 233 · 233 ºC
Density: 1.258 · 1.258
Flash point: 95 · 95 ºC
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Clear
InChI: InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey: OIGMDNONQJGUCF-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1F)C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications · 1 item

Uses4''-Chloro-2''-fluoroacetophenone is used as a reagent in the synthesis of aminoazabenzimidazoles as a novel class of orally active antimalarial agents. 4''-Chloro-2''-fluoroacetophenone is also used in the preparation of the JAK2 Inhibitor, LY2784544 (L486570).