CAS 25913-05-7 4-Fluoro-4'-hydroxybenzophenone (HCID 117666)

Substructure search Find similar structures

Basic information

CAS: 25913-05-7
Standard SMILES: O=C(c1ccc(O)cc1)c1ccc(F)cc1
InChIKey: HLRVUOFDBXRZBI-UHFFFAOYSA-N
Molecular formula: C13H9FO2
Average molar mass: 216.21 g/mol
Monoisotopic mass: 216.05865775

Overview

4-fluoro-4'-hydroxybenzophenone is a member of the class of benzophenones that is phenol substituted by a 4-fluorobenzoyl group at position 4. It has a role as a plant metabolite. It is a member of benzophenones, a member of phenols and a member of monofluorobenzenes.

Names & identifiers

Preferred name: 4-Fluoro-4'-hydroxybenzophenone
IUPAC: (4-fluorophenyl)-(4-hydroxyphenyl)methanone
English name: 4-Fluoro-4'-hydroxybenzophenone
Molecular formula: C13H9FO2
Molecular weight: 216.21

Names & synonyms

25913-05-74-Fluoro-4'-hydroxybenzophenone4-(4-fluorobenzoyl)phenolMethanone, (4-fluorophenyl)(4-hydroxyphenyl)-DTXSID90180587EINECS 247-340-8CHEBI:176638(4-luorophenyl)-(4-hydroxyphenyl)methanoneRefChem:989884-(p-fluorobenzoyl)phenolp-(4-fluorobenzoyl)phenolDTXCID30103078

Show more names

4''-Fluoro-4-LABOTEST-BB LT000534904-Fluoro-4'-hydroxybenzophenone>4-FLUORO-4''-HYDROXYBENZOPHENONE 98+%4-Hydroxyphenyl(4-fluorophenyl)methanone(4-Fluorophenyl)(4-hydroxyphenyl) ketone(4-fluorophenyl)(4-hydroxyphenyl)methylone

1-(4-fluorophenyl)-1-(4-hydroxyphenyl)methanone247-340-8HLRVUOFDBXRZBI-UHFFFAOYSA-N(4-Fluorophenyl)(4-hydroxyphenyl)methanone4-Fluoro-4'-hydroxybenzopheone(4-fluorophenyl)-(4-hydroxyphenyl)methanoneMFCD000114844-fluorophenyl 4-hydroxyphenyl ketone

Database identifiers

CAS: 25913-05-7

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 238

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzophenones

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 164 · 164-167 °C(lit.)
Boiling point: 374.3 · 374.3±27.0 °C(Predicted)
Density: 1.27 · 1.270±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 7.77 · 7.77±0.15(Predicted)
color: White to Light yellow to Light orange
CAS DataBase Reference: 25913 · 25913-05-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Fluoro-4'-Hydroxybenzophenone (cas# 25913-05-7) is a useful research chemical. It is used in the manufacturing of continuous fiber-reinforced aromatic poly(ether ketone) unidirectional prepreg tape.

Preparation methods

PreparationPreparation by reaction of p-fluorobenzoyl chloride with phenol, in the presence of aluminium chloride; in the presence of boron trifluoride in hydrofluoric acid (83%).