2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one

HCID 11287169CAS 89630-28-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(CO)c1ccc(C(F)(F)F)cc1
InChIKey: HVNDDPHQGGNGQI-UHFFFAOYSA-N
Molecular formula: C9H7F3O2
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.03981412

Names & identifiers

Preferred name: 2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one
IUPAC: 2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone
English name: 2-Hydroxy-4’-(trifluoromethyl)acetophenone
Molecular formula: C9H7F3O2
Molecular weight: 204.15

Names & synonyms

2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one2-hydroxy-1-(4-(trifluoromethyl)phenyl)ethan-1-oneRefChem:473012836-933-289630-28-42-hydroxy-1-(4-(trifluoromethyl)phenyl)ethanoneEthanone, 2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone2-Hydroxy-4'-(trifluoromethyl)acetophenoneMFCD166164732-HYDROXY-4-(TRIFLUOROMETHYL)ACETOPHENONESCHEMBL1360049

Show more names

DTXSID30461226PDA63028AC7158AKOS0175493902-Hydroxy-4'-trifluoromethylacetophenone2-hydroxy-4'-trifluoromethyl acetophenoneSY130971EN300-192056

Database identifiers

CAS: 89630-28-4
PubChem CID: 11287169
DTXSID: DTXSID30461226
EC Number: 836-933-2
Nikkaji: J3.225.206K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Physicochemical properties

Boiling point: 269.1 · 269.1±40.0 °C(Predicted)
Density: 1.343 · 1.343±0.06 g/cm3(Predicted)
pka: 12.53 · 12.53±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362