1-(2-Bromo-4-fluorophenyl)ethan-1-one

HCID 2736304

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1006-39-9
Standard SMILES: CC(=O)c1ccc(F)cc1Br
InChIKey: RCXFSBRMWBFWMH-UHFFFAOYSA-N
Molecular formula: C8H6BrFO
Average molar mass: 217.03 g/mol
Monoisotopic mass: 215.95860513

Names & identifiers

Preferred name: 1-(2-Bromo-4-fluorophenyl)ethan-1-one
IUPAC: 1-(2-bromo-4-fluorophenyl)ethanone
English name: 2'-BROMO-4'-FLUOROACETOPHENONE
Molecular formula: C8H6BrFO
Molecular weight: 217.04

Names & synonyms

1-(2-bromo-4-fluorophenyl)ethanone1-(2-bromo-4-fluorophenyl)ethan-1-oneRefChem:421566600-117-21006-39-92'-Bromo-4'-fluoroacetophenone2-Bromo-4-fluoroacetophenone1-Acetyl-2-bromo-4-fluorobenzeneEthanone, 1-(2-bromo-4-fluorophenyl)-MFCD000774641-(2-bromo-4-fluoro-phenyl)ethanoneCS-W014824

Show more names

2-Methyl-29-nitrobenzyl&chloride2'-Bromo-4'-fluoroacetophenone97%2'-Bromo-4'-fluoroacetophenone 97%Ethanone,1-(2-bromo-4-fluorophenyl)-2′-Bromo-4′-fluoroacetophenone, CAS 1006-39-9

AC-3633EN300-103964Z12691356211-(2-Bromo-4-fluorophenyl)ethanone; 2'-Bromo-4'-fluoroacetophenone;FT-0611447SCHEMBL120277SCHEMBL30480694DTXSID80371260

Database identifiers

CAS: 1006-39-9
PubChem CID: 2736304
DTXSID: DTXSID80371260
EC Number: 600-117-2
Nikkaji: J2.042.572E

Properties

Computed structural properties

XLogP: 2.4
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

Melting point: 48 · 48-50°C
Boiling point: 150 °C · 150°C 12mm
Density: 1.535 · 1.535±0.06 g/cm3(Predicted)
refractive index: 1.549 · 1.549
Flash point: 110 °C · 110°C
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Chloroform, Methanol
form: liquid
color: Clear, pale lemon
BRN: 2249797 · 2249797
InChI: InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChIKey: RCXFSBRMWBFWMH-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C=C1Br)C
CAS DataBase Reference: 1006 · 1006-39-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26-36
Hazard Note: Irritant
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (12.5%)

Safety data

hs_code: 2914790090
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313