CAS 220141-73-1 3',4',5'-Trifluoroacetophenone (HCID 2776907)

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Basic information

CAS: 220141-73-1
Standard SMILES: CC(=O)c1cc(F)c(F)c(F)c1
InChIKey: KXVIYAHOUAMVJX-UHFFFAOYSA-N
Molecular formula: C8H5F3O
Average molar mass: 174.12 g/mol
Monoisotopic mass: 174.02924944

Names & identifiers

Preferred name: 3',4',5'-Trifluoroacetophenone
IUPAC: 1-(3,4,5-trifluorophenyl)ethanone
English name: 3',4',5'-Trifluoroacetophenone
Molecular formula: C8H5F3O
Molecular weight: 174.12

Names & synonyms

3',4',5'-Trifluoroacetophenone220141-73-1DTXSID40380292RefChem:269333DTXCID70331318671-898-51-(3,4,5-trifluorophenyl)ethanone3,4,5-trifluoroacetophenone1-(3,4,5-trifluorophenyl)ethan-1-oneMFCD00083533Ethanone, 1-(3,4,5-trifluorophenyl)-1-acetyl-3,4,5-trifluorobenzene

Show more names

3',4',5'-TRIFLUOROACETOPHE3',4',5'-Trifluoroacetophenone97%3',4',5'-Trifluoroacetophenone 97%3′,4′,5′-Trifluoroacetophenone, CAS 220141-73-1

CL86481-(3,4,5-TRIFLUORO-PHENYL)-ETHANONE1,4-Dimethylpentylamine hydrochloride1-(3,4,5-trifluorophe3,4,5-triflouroacetophenoneSCHEMBL8236773,4,5-trifluoro acetophenoneSCHEMBL2095495

Database identifiers

CAS: 220141-73-1
PubChem CID: 2776907
DTXSID: DTXSID40380292
EC Number: 671-898-5
Nikkaji: J2.894.824G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

Boiling point: 209 ℃ · 209℃
Density: 1.303 · 1.303
refractive index: 1.473 · 1.473
Flash point: 100 °C · >100°C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
CAS DataBase Reference: 220141 · 220141-73-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · 1993

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: 1993
hs_code: 2914790090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3',4',5'-Trifluoroacetophenone is an organic intermediate that can be used to prepare the key mother nucleus (S)-N-[4-(1-aminoethyl)-2,6-difluorophenyl]methanesulfonamide of vanilloid compounds.