Basic information
- CAS
399-10-0- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc(F)cc1- InChIKey
VKNQSJQWRINEFS-UHFFFAOYSA-N- Molecular formula
- C15H11FO
- Average molar mass
- 226.24 g/mol
- Monoisotopic mass
- 226.07939313
Names & identifiers
- Preferred name
- 1-(4-Fluoro-phenyl)-3-phenyl-propenone
- IUPAC
- 1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
- English name
- 4'-Fluorochalcone
- Molecular formula
- C15H11FO
- Molecular weight
- 226.25
Names & synonyms
1-(4-fluoro-phenyl)-3-phenyl-propenoneSCHEMBL6593521DTXSID901032077AKOS017085743DB-0495031-(4-fluorophenyl)-3-phenyl-prop-2-en-1-one4'-Fluochalcone4'-Fluorochalcone2-BENZAL-4'-FLUOROACETOPHENONE4′-Fluorochalcone, CAS 399-10-02-BENZYLIDENE-4'-FLUOROACETOPHENONE1-(4-fluorophenyl)-3-phenyl-2-propen-1-one
Show more names
2-Propen-1-one, 1-(4-fluorophenyl)-3-phenyl-(E)-1-(4-fluorophenyl)-3-phenyl-2-propen-1-one(2E)-1-(4-Fluorophenyl)-3-phenylprop-2-en-1-one
Database identifiers
- CAS
399-10-0- PubChem CID
- 97599
- DTXSID
DTXSID901032077
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 358.016 · 358.016±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1755 · 1.1755 (estimate)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 399 · 399-10-0(CAS DataBase Reference)
- FDA UNII
- 15372 ZH7KP · 15372ZH7KP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29147000
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses4''-Fluorochalcone
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
常州金和生物科技有限公司18796930758 · [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4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
烟台盛凯伦生物制品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…