CAS 290835-85-7 1-(2,6-Dichloro-3-fluorophenyl)ethanone (HCID 2733982)

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Basic information

CAS: 290835-85-7
Standard SMILES: CC(=O)c1c(Cl)ccc(F)c1Cl
InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N
Molecular formula: C8H5Cl2FO
Average molar mass: 207.03 g/mol
Monoisotopic mass: 205.97014836

Names & identifiers

Preferred name: 1-(2,6-Dichloro-3-fluorophenyl)ethanone
IUPAC: 1-(2,6-dichloro-3-fluorophenyl)ethanone
English name: 2,6-Dichloro-3-fluoroacetophenone
Molecular formula: C8H5Cl2FO
Molecular weight: 207.03

Names & synonyms

1-(2,6-dichloro-3-fluorophenyl)ethanoneRefChem:420611290835-85-72',6'-Dichloro-3'-fluoroacetophenone1-(2,6-dichloro-3-fluorophenyl)ethan-1-oneEthanone, 1-(2,6-dichloro-3-fluorophenyl)-MFCD02093760SCHEMBL4887792',6'-dichloro-5'-fluoroacetophenone2`,6`-Dichloro-3`-fluoroacetophenonePB47336BP-10594

Show more names

2-chloro-1-(2-chloro-5-fluorophenyl)ethan-1-oneCAS:290835-85-7Dichloro-3-fluoroacetophe6'-Dichloro-3'-fluro acetophenone3-Fluoro-2,6-Dichloroacetophenone2,6-dichloro-3-fluro acetophenone2,6-DICHLORO-3-FLUOROACETOPHENONE2,6-Dichloro-3-fluorobenzophenone2,6-DICHLORO-5-FLUORO ACETOPHENONE

2',6'-Dichloro-3'-fluoroacetophenone, 98%Z1045091541-acetyl-2,6-dichloro-3-fluorobenzene2',6'-Dichloro-3'-fluroacetophenone1-(2,6-dichloro-3-fluoro-phenyl)ethanoneAM20061080EC 627-895-696LBS2W3AE

Database identifiers

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

Physicochemical properties

Boiling point: 255 °C · 255 °C(lit.)
Density: 1.403 g/mL · 1.403 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.529(lit.)
Flash point: 255 °C · 255°C
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.403 · 1.403
color: Clear colorless to light yellow
InChI: InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3
InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N
SMILES: C(=O)(C1=C(Cl)C=CC(F)=C1Cl)C
CAS DataBase Reference: 290835 · 290835-85-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29143990
risk_code: 36/37/38-22-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,F,T
hazard_note: Flammable
safety_code: 37/39-26-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310

Chemistry & industry

Applications · 3 items

Uses2′,6′-Dichloro-3′-fluoroacetophenone (2,6-Dichloro-3-fluoroacetophenone) may be used to synthesize the enantiomerically pure form of (S)-1-(2,6-dichloro-3-fluorophenyl)ethanol.

Uses2,6-Dichloro-3-fluoroacetophenone is a halogenated derivative of Acetophenone (A164015), a reagent used in the production of fragrances and resin polymers.

General Description2′,6′-Dichloro-3′-fluoroacetophenone is an aryl fluorinated building block.