CAS 655-32-3 2,2,2,4'-Tetrafluoroacetophenone (HCID 69564)

Names & identifiers

Preferred name: 2,2,2,4'-Tetrafluoroacetophenone
IUPAC: 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
English name: 2,2,2,4'-Tetrafluoroacetophenone
Molecular formula: C8H4F4O
Molecular weight: 192.11

Names & synonyms

655-32-32,2,2,4'-Tetrafluoroacetophenone2,2,2-trifluoro-1-(4-fluorophenyl)ethanone2,2,2-Trifluoro-1-(4-fluorophenyl)ethan-1-onep-FluorotrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-Acetophenone, 2,2,2,4'-tetrafluoro-1-(4-fluorophenyl)-2,2,2-trifluoroethanoneY27QD2KWG8p,alpha,alpha,alpha-TetrafluoroacetophenoneEINECS 211-509-4NSC 158171

Show more names

uoro-1-(4-fL4-Fluoro-,,-trifluoroEthanone, 2,2,2-trifLα,α,α,4-tetrafluoroacetophenone4-Fluoro-,,-trifluoroacetophenone(4-Fluorobenzoyl)trifluoromethane2,2,2,4'-Tetrafluoroacetophenone99%

NSC-158171DTXSID30609581-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-oneRefChem:440377DTXCID4044618211-509-4MFCD00042393NSC158171

Database identifiers

CAS: 655-32-3
PubChem CID: 69564
DTXSID: DTXSID3060958
UNII: Y27QD2KWG8
EC Number: 211-509-4
Nikkaji: J205.947I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 24 · 24-27 °C(lit.)
Boiling point: 66 · 66-67 °C34 mm Hg(lit.)
Density: 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.448(lit.)
Flash point: 90 °F · 90 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
Specific Gravity: 1.37 · 1.370
λmax: 266 nm · 266nm(2-Propanol)(lit.)
BRN: 1872824 · 1872824
InChI: 1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(=O)C(F)(F)F
CAS DataBase Reference: 655 · 655-32-3(CAS DataBase Reference)
FDA UNII: 27 QD2KWG8 · Y27QD2KWG8
EPA Substance Registry System: 2 · Ethanone, 2,2,2-trifluoro-1-(4-fluorophenyl)- (655-32-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 CategoriesFlam. Sol. 1 (100%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29147000
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
hazard_note: Irritant
safety_code: 16-26-36
hazard_class: 3.2
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H228-H315-H319-H335
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-: INACTIVE

Applications

Uses2,2,2,4''-Tetrafluoroacetophenone is used in the stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines.

General Description2,2,2,4′-Tetrafluoroacetophenone (α,α,α,4-Tetrafluoroacetophenone, 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone) is a fluorinated building block. Its enthalpy of vaporization at boiling point has been reported.