4-Bromoquinoline-2-carboxylic acid
Basic information
- CAS
209003-46-3- Standard SMILES
O=C(O)c1cc(Br)c2ccccc2n1- InChIKey
DLAHQKXVDUYPHR-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO2
- Average molar mass
- 252.06 g/mol
- Monoisotopic mass
- 250.95819
Names & identifiers
- Preferred name
- 4-Bromoquinoline-2-carboxylic acid
- IUPAC
- 4-bromoquinoline-2-carboxylic acid
- English name
- 4-Bromoquinoline-2-carboxylic acid
- Molecular formula
- C10H6BrNO2
- Molecular weight
- 252.06
Names & synonyms
4-bromoquinoline-2-carboxylic acid209003-46-3DTXSID90573718RefChem:291149DTXCID205244902-Quinolinecarboxylic acid, 4-bromo-MFCD08705670SCHEMBL837668AKOS015966898SB71584AS-62585SY105773
Show more names
4-Bromoquinoline-2-carboxylicacidFT-0736388DB-0816064-Bromo-2-quinolinecarboxylic acid, AldrichCPRC73945EN300-3539269F233980
Database identifiers
- CAS
209003-46-3- PubChem CID
- 15530812
- DTXSID
DTXSID90573718- EC Number
- 117-481-9
- Nikkaji
- J1.526.743G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 159 · 159-164 °C (decomp)
- Boiling point
- 398.1 · 398.1±32.0 °C(Predicted)
- Density
- 1.732 · 1.732±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3 · 3+-.0.50(Predicted)
- Appearance
- White to light brown Solid
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
4 records
Compound notes
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