Basic information
- CAS
18453-32-2- Standard SMILES
O=C(c1ccc(Br)cc1)c1ccccn1- InChIKey
CQIMFAYIBRLNCH-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO
- Average molar mass
- 262.1 g/mol
- Monoisotopic mass
- 260.97892598
Names & identifiers
- Preferred name
- (4-Bromophenyl)-2-pyridyl ketone
- IUPAC
- (4-bromophenyl)-pyridin-2-ylmethanone
- English name
- (4-bromophenyl)-2-pyridyl ketone
- Molecular formula
- C12H8BrNO
- Molecular weight
- 262.1
Names & synonyms
2-(4-Bromobenzoyl)pyridine18453-32-2(4-Bromophenyl)-2-pyridyl ketone(4-Bromophenyl)(pyridin-2-yl)methanone(4-bromophenyl)-pyridin-2-ylmethanoneMFCD07699238(4-Bromophenyl)-2-pyridinylmethanoneEINECS 242-338-3Methanone, (4-bromophenyl)-2-pyridinyl-4-Bromophenyl(2-pyridyl)methanoneMethanone,(4-bromophenyl)-2-pyridinyl-T53SH5XEJ9
Show more names
p-bromophenyl 2-pyridyl ketoneSCHEMBL1156133Ketone, p-bromophenyl 2-pyridylDTXSID001715874-[2-pyridylcarbonyl]bromobenzene(4-Bromophenyl)(2-pyridyl)methanone(4-bromophenyl)-(2-pyridyl)methanoneAKOS016018613
Database identifiers
- CAS
18453-32-2- PubChem CID
- 87654
- DTXSID
DTXSID00171587- UNII
- T53SH5XEJ9
- EC Number
- 242-338-3
- Nikkaji
- J222.207H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 45 · 45-47 °C
- Boiling point
- 369.7 · 369.7±17.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- pka
- 2.69 · 2.69±0.10(Predicted)
- FDA UNII
- 53 SH5XEJ9 · T53SH5XEJ9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
浙江华海药业股份有限公司0576-85016990 15014006640 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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