Basic information
- Standard SMILES
O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O- InChIKey
OOSNDHMLIFRVBM-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.03967189
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
- IUPAC
- 2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
- English name
- 2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
- Molecular formula
- C14H11ClO3
- Molecular weight
- 262.69
Names & synonyms
2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone15485-64-0DTXSID00342977RefChem:252157DTXCID90294057MFCD004991202-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)ethan-1-oneCHEMBL10772511-(2,4-dihydroxyphenyl)-2-(4-chlorophenyl)ethan-1-oneOprea1_427565Oprea1_780217SCHEMBL3586687
Show more names
Ethanone, 2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)-JR-6423, 2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone, 97%
Ethanone,2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)-SCHEMBL29514772BDBM50467444SBB015373STK878820AKOS000273243CCG-1036212,4-Dihydroxyphenyl-p-chlorobenzylketone
Database identifiers
- CAS
15485-64-0- PubChem CID
- 586366
- DTXSID
DTXSID00342977- ChEMBL
CHEMBL1077251- EC Number
- 121-966-0
- Nikkaji
- J270.618K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 153 · 153-154 °C
- Boiling point
- 456 · 456.0±14.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914390090 · 2914390090
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, 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 Sens. 1 (100%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by Friedel–Crafts acylation of resorcinol with p-chlorophenylacetyl chloride in nitrobenzene in the presence of aluminium chloride for some hours at 40–50° (64%).
Upstream & downstream products
Upstream raw materials
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
2 records
Linked notes
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