Basic information
- CAS
59105-50-9- Standard SMILES
O=C(c1ccccc1)c1cncc(Br)c1- InChIKey
JBMAMZKKOFXEDT-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO
- Average molar mass
- 262.1 g/mol
- Monoisotopic mass
- 260.97893
Names & identifiers
- Preferred name
- (5-Bromopyridin-3-yl)(phenyl)methanone
- IUPAC
- (5-bromo-3-pyridinyl)-phenylmethanone
- English name
- (5-BroMopyridin-3-yl)(phenyl)Methanone
- Molecular formula
- C12H8BrNO
- Molecular weight
- 262.1
Names & synonyms
(5-bromopyridin-3-yl)(phenyl)methanone59105-50-9DTXSID60355326RefChem:209392DTXCID90306386(5-bromopyridin-3-yl)-phenylmethanoneMFCD00452964Methanone, (5-bromo-3-pyridinyl)phenyl-3-benzoyl-5-bromopyridineMLS0000529405-bromo-3-benzoylpyridineCambridge id 5110209
Show more names
(5-bromo-3-pyridinyl)phenylMethanone
Oprea1_096641SCHEMBL2952630CHEMBL1531039JBMAMZKKOFXEDT-UHFFFAOYSA-N5-bromo(3-pyridyl) phenyl ketoneHMS1577C08HMS2366A04STK833063
Database identifiers
- CAS
59105-50-9- PubChem CID
- 796643
- DTXSID
DTXSID60355326- ChEMBL
CHEMBL1531039- Nikkaji
- J2.428.678I
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
- 226
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…