Basic information
- CAS
1255635-99-4- Standard SMILES
O=C(O)c1ccc(-c2ccc(Br)cn2)cc1- InChIKey
FTSFOBKADPFBGR-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO2
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 276.97384
Names & identifiers
- Preferred name
- 4-(5-Bromopyridin-2-yl)benzoic acid
- IUPAC
- 4-(5-bromo-2-pyridinyl)benzoic acid
- English name
- 4-(5-BROMO-2-PYRIDINYL)-BENZOIC ACID
- Molecular formula
- C12H8BrNO2
- Molecular weight
- 278.1
Names & synonyms
1255635-99-44-(5-bromopyridin-2-yl)benzoic acidBenzoic acid, 4-(5-bromo-2-pyridinyl)-MFCD176779614-(5-BROMO-2-PYRIDINYL)-BENZOIC ACIDSCHEMBL154189674-(5-bromo-2-pyridyl)benzoic acid4-(5-bromopyridin-2-yl)benzoicacidAS-80112DB-205121N11844F816534
Database identifiers
- CAS
1255635-99-4- PubChem CID
- 89926176
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 419.6 · 419.6±35.0 °C(Predicted)
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- pka
- 3.91 · 3.91±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
河南伊诺凯新材料有限公司15670530983 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…