Basic information
- CAS
1774-66-9- Standard SMILES
O=C(/C=C/c1ccc(Br)cc1)c1ccccc1- InChIKey
JFARWEWTPMAQHW-DHZHZOJOSA-N- Molecular formula
- C15H11BrO
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 285.99932707
Names & identifiers
- Preferred name
- 4-Bromochalcone
- IUPAC
- (E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
- English name
- (E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one
- Molecular formula
- C15H11BrO
- Molecular weight
- 287.15
Names & synonyms
4-Bromochalcone22966-09-21774-66-9(E)-4-BromochalconeCCRIS 2219(E)-3-(4-Bromophenyl)-1-phenyl-2-propen-1-oneUNII-099C4158DP099C4158DPNSC-6369222-Propen-1-one, 3-(4-bromophenyl)-1-phenyl-, (E)-NSC 28482NSC-28482
Show more names
4′-Bromochalcone, CAS 22966-09-2(E)-β-(4-Bromophenyl)acrylophenone
CHALCONE, 4-BROMO-, (E)-2-PROPEN-1-ONE, 3-(4-BROMOPHENYL)-1-PHENYL-, (2E)-RefChem:98192(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one3-(4-Bromophenyl)-1-phenyl-2-propen-1-oneMFCD00205553(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one
Database identifiers
- CAS
1774-66-9、22966-09-2- PubChem CID
- 5367147
- DTXSID
DTXSID501031041- ChEMBL
CHEMBL243164- UNII
- 099C4158DP
- EC Number
- 118-897-3、889-018-5
- Nikkaji
- J124.901K、J150.786I
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- Melting point
- 120 · 120-121 °C
- Boiling point
- 398.3 · 398.3±34.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 22966 · 22966-09-2
- FDA UNII
- 99 C4158DP · 099C4158DP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, 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.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Aquatic Chronic 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
郑州睿科生化科技有限公司18521304688;17324816296 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [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]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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