Basic information
- CAS
22252-16-0- Standard SMILES
O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1- InChIKey
ABGIIXRNMHUKII-DHZHZOJOSA-N- Molecular formula
- C15H11ClO
- Average molar mass
- 242.7 g/mol
Overview
4-chlorochalcone is a member of the class of chalcones that is trans-chalcone substituted by a chloro group at position 4. It is a member of chalcones and a member of monochlorobenzenes. It is functionally related to a trans-chalcone.
Names & identifiers
- Preferred name
- 4-Chlorochalcone
- IUPAC
- (E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
- English name
- (E)-β-(4-Chlorophenyl)acrylophenone
- Molecular formula
- C15H11ClO
- Molecular weight
- 242.7
Names & synonyms
4-Chlorochalcone956-04-7(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one(2E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one(E)-4-Chlorochalcone4-Chlorochalcone, (E)-trans-4-Chlorochalcone4-Chlorochalcone, trans-FLU6LN357NNSC-237974NSC-636920Chalcone, 4-chloro-, (E)-
Show more names
4-Chloro-trans-chalcone(E)-4-Chloro-β-benzoylstyrene(E)-β-(4-Chlorophenyl)acrylophenone(E)-1-Phenyl-3-(4-chlorophenyl)-2-propen-1-one2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (2E)-
(E)-p-Chlorostyryl phenyl ketone4-CHLORO CHALCONE2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (E)-2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-CHEBI:34398(2E)-3-(4-Chlorophenyl)-1-phenyl-2-propenoneNSC-2643(E)-3-(4-chlorophenyl)-1-phenyl-2-propen-1-one
Database identifiers
- CAS
22252-16-0、956-04-7- PubChem CID
- 5377022
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- FDA UNII
- 6 LN357N · FLU6LN357N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 5 reports by companies from 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
安徽合诺生物科技有限公司18455579438
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 4-chlorochalcone is a member of the class of chalcones that is trans-chalcone substituted by a chloro group at position 4. It is a member of chalcones and a member of monochlorobenzenes. It is functionally related to a trans-chalcone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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