Basic information
- Standard SMILES
O=C(O)c1cccc(CBr)n1- InChIKey
YLHLANHPBJQXGA-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO2
- Average molar mass
- 216.03 g/mol
- Monoisotopic mass
- 214.95819053
Names & identifiers
- Preferred name
- 6-(Bromomethyl)picolinic acid
- IUPAC
- 6-(bromomethyl)pyridine-2-carboxylic acid
- English name
- 6-(broMoMethyl)picolinic acid
- Molecular formula
- C7H6BrNO2
- Molecular weight
- 216.03
Names & synonyms
6-(Bromomethyl)picolinic acid885951-67-76-(bromomethyl)pyridine-2-carboxylic Acid6-Bromomethyl-2-pyridinecarboxylic acid6-(Bromomethyl)picolinicacidSCHEMBL2348706DTXSID30363579DS-017015H544872-Pyridinecarboxylic acid, 6-(bromomethyl)-
Database identifiers
- CAS
885951-67-7- PubChem CID
- 1502002
- DTXSID
DTXSID30363579
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 355.9 · 355.9±32.0 °C(Predicted)
- Density
- 1.732 · 1.732±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.91 · 0.91±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers7 total
上海拓目化工有限公司13391076197 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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