CAS 704-10-9 Acetophenone, 2',4'-dichloro-5'-fluoro- (HCID 727250)

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Basic information

CAS: 704-10-9
Standard SMILES: CC(=O)c1cc(F)c(Cl)cc1Cl
InChIKey: FAKJFAMIABOKBW-UHFFFAOYSA-N
Molecular formula: C8H5Cl2FO
Average molar mass: 207.03 g/mol
Monoisotopic mass: 205.97014836

Names & identifiers

Preferred name: Acetophenone, 2',4'-dichloro-5'-fluoro-
IUPAC: 1-(2,4-dichloro-5-fluorophenyl)ethanone
English name: 2,4-Dichloro-5-fluoroacetophenone
Molecular formula: C8H5Cl2FO
Molecular weight: 207.03

Names & synonyms

704-10-92',4'-Dichloro-5'-fluoroacetophenone1-(2,4-dichloro-5-fluorophenyl)ethanoneAcetophenone, 2',4'-dichloro-5'-fluoro-DTXSID80220668EC 615-113-6RefChem:552421DTXCID10143159615-113-62,4-Dichloro-5-fluoroacetophenone1-(2,4-dichloro-5-fluorophenyl)ethan-1-oneMFCD00077499

Show more names

1-(2,4-DICHLORO-5-FLUORO-PHENYL)-ETHANONE2,4-Dichloro-5-fluor2,4-dichloro-5-fluorobenCiprofloxacin Impurity 182',4'-Dichloro-5'-Fluoroacet2,4- Dichloro -5-fluorohypnone2,4-Dichloro-5-flouroacetophenone2,4-Dichloro-5-fluorobenzophenone

Ciprofloxacin Impurity 141-acetyl-2,4-dichloro-5-fluorobenzeneEthanone, 1-(2,4-dichloro-5-fluorophenyl)-6-acetyl-1,3-dichloro-4-fluorobenzeneCDS1_000060Maybridge1_002348DivK1c_001100SCHEMBL2630704

Database identifiers

CAS: 704-10-9
PubChem CID: 727250

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 186

Experimental & physicochemical properties

LogP3.4

Physicochemical properties

Melting point: 33 · 33-36 °C
Boiling point: 167 °C · 167 °C(lit.)
Density: 1.425 g/mL · 1.425 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.546(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Almost white
Specific Gravity: 1.425 · 1.425
BRN: 3090042 · 3090042
InChI: InChI=1S/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H3
InChIKey: FAKJFAMIABOKBW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=C(Cl)C=C1Cl)C

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.