Basic information
- CAS
423735-02-8- Standard SMILES
CCc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1- InChIKey
BPDBFCSMKSAANN-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.05718
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-(4-ethylanilino)-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-ethylanilino)propan-1-one
- English name
- 1-(4-BROMOPHENYL)-3-(4-ETHYLANILINO)-1-PROPANONE
- Molecular formula
- C17H18BrNO
- Molecular weight
- 332.23
Names & synonyms
1-(4-bromophenyl)-3-(4-ethylanilino)-1-propanoneRefChem:425010646-745-0423735-02-81-(4-Bromophenyl)-3-((4-ethylphenyl)amino)propan-1-one1-(4-bromophenyl)-3-(4-ethylanilino)propan-1-one1-(4-BROMOPHENYL)-3-[(4-ETHYLPHENYL)AMINO]PROPAN-1-ONEMFCD004233611-(4-bromophenyl)-3-[(4-ethylphenyl)amino]-1-propanoneHMS2447C03CBMicro_008339Oprea1_115026
Show more names
CHEMBRDG-BB 5927359SALOR-INT L232734-1EA1-Propanone, 1-(4-bromophenyl)-3-[(4-ethylphenyl)amino]-1-(4-bromophenyl)-3-[(4-ethylphenyl)amino]propan-1-one(SALTDATA: FREE)
MLS000571265CHEMBL1326621DTXSID70358106SMSF0009810AKOS005108655CB10925JS-2436SMR000193632
Database identifiers
- CAS
423735-02-8- PubChem CID
- 877415
- DTXSID
DTXSID70358106
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335-H315-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H302-H318-H335-H315-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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