Completing data — usually done within a minute
Basic information
- CAS
62433-26-5- Standard SMILES
O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O- InChIKey
AYBQWBCUAWOLCT-UHFFFAOYSA-N- Molecular formula
- C13H8ClFO2
- Average molar mass
- 250.656 g/mol
- Monoisotopic mass
- 250.0196854
Names & identifiers
- Preferred name
- 4'-Chloro-5-fluoro-2-hydroxybenzophenone
- IUPAC
- (4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone
- English name
- 4'-Chloro-5-fluoro-2-hydroxybenzophenone
- Molecular formula
- C13H8ClFO2
- Molecular weight
- 250.65
Names & synonyms
SL-79-182SL-79-182-004'-Chloro-5-fluoro-2-hydroxyacetophenone2-Hydroxy-4'-chloro-5-fluorobenzophenone4'-CHLORO-5-FLUORO-2-HYDROXYBENZOPHENON&4'-Chloro-5-fluoro-2-hydroxybenzophenone4-CHLORO-5'-FLUORO-2'-HYDROXYBENZOPHENONE4'-Chloro-5-fluoro-2-hydroxybenzophenone97%(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl) ketone(4-chloro-5-fluoro-2-hydroxyphenyl)-phenylmethanone
Database identifiers
- CAS
62433-26-5- PubChem CID
- 112841
- DTXSID
DTXSID40211476- UNII
- RAB636KJF9
- EC Number
- 263-539-2
- Nikkaji
- J227.882K
Properties
Physicochemical properties
- Melting point
- 65 · 65-69 °C(lit.)
- Boiling point
- 145 · 145-152/5mm
- Density
- 1.376 · 1.376
- Flash point
- 177 ℃ · 177℃
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Yellow to Green
- Water Solubility
- 8.999 mg/L · 8.999mg/L(37 ºC)
- InChI
- InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H
- InChIKey
- AYBQWBCUAWOLCT-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(Cl)C=C1)(C1=CC(F)=CC=C1O)=O
- CAS DataBase Reference
- 62433 · 62433-26-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 2914500090 · 2914500090
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2914500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4''-Chloro-5-fluoro-2-hydroxybenzophenone is a metabolite of Progabide (P755350) which is a gamma-aminobutyric acid (GABA) antagonist with antiepileptic activity. 4''-Chloro-5-fluoro-2-hydroxybenzophenone is also used as a reagent in the synthesis of a series of novel dihydrobenzofuranols which displayed antibacterial activity comparable to bacitracin, ciprofloxacin and gentamicin.
Preparation methods
PreparationPreparation by Fries rearrangement of p-fluorophenyl p-chlorobenzoate, with titanium tetrachloride at 150° for 18 h (81%); with aluminium chloride, at 130° for 2 h (98%) or at 200° for 5 min or for 15 min (65%).
Upstream & downstream products
Downstream products
Suppliers42 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
1 records
Compound notes
Loading…