CAS 129322-83-4 2',4',5'-Trifluoroacetophenone (HCID 594417)

Substructure search Find similar structures

Basic information

CAS: 129322-83-4
Standard SMILES: CC(=O)c1cc(F)c(F)cc1F
InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYSA-N
Molecular formula: C8H5F3O
Average molar mass: 174.121 g/mol
Monoisotopic mass: 174.02924944

Names & identifiers

Preferred name: 2',4',5'-Trifluoroacetophenone
IUPAC: 1-(2,4,5-Trifluorophenyl)ethan-1-one
English name: 2',4',5'-Trifluoroacetophenone
Molecular formula: C8H5F3O
Molecular weight: 174.12

Names & synonyms

CAS:129322-83-42,4,5-TRIFLUOROACETOPHENONE2',4',5'-TRIFLUOROACETOPHE22',4',5'-Trifluoroacetophenone1-(2,4,5-trifluorophenyl)ethanone2',4',5'-Trifluoroacetophenone99%2',4',5'-Trifluoroacetophenone 99%2',4',5'-Trifluoroacetophenone,98%1-(2,4,5-Trifluorophenyl)ethan-1-oneEthanone, 1-(2,4,5-trifluorophenyl)-

Database identifiers

CAS: 129322-83-4
PubChem CID: 594417
DTXSID: DTXSID20344099
EC Number: 624-762-4
Nikkaji: J2.841.573G

Properties

Physicochemical properties

Melting point: -7 · -7
Boiling point: 76 °C · 76 °C
Density: 1.331 g/mL · 1.331 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.472(lit.)
Flash point: 160 °F · 160 °F
storage temp.: Sealed in dry,Room Temperature
Specific Gravity: 1.331 · 1.331
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=C(F)C=C1F)C
CAS DataBase Reference: 129322 · 129322-83-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29143990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,4,5-Trifluoroacetophenone is a reagent in the preparation of indazolylpyrazolopyrimidines as type I B-Raf inhibitors with antitumor activity.