7-Bromo-1-benzofuran-5-carboxylic acid
Basic information
- CAS
286836-25-7- Standard SMILES
O=C(O)c1cc(Br)c2occc2c1- InChIKey
VRGGTOQHOVHAEU-UHFFFAOYSA-N- Molecular formula
- C9H5BrO3
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.94221
Names & identifiers
- Preferred name
- 7-Bromo-1-benzofuran-5-carboxylic acid
- IUPAC
- 7-bromo-1-benzofuran-5-carboxylic acid
- English name
- 7-bromobenzofuran-5-carboxylic acid
- Molecular formula
- C9H5BrO3
- Molecular weight
- 241.04
Names & synonyms
7-bromo-1-benzofuran-5-carboxylic acid286836-25-7RefChem:545569975-575-27-Bromobenzofuran-5-carboxylic acid7-bromo-5-benzofurancarboxylic acidMFCD184510865-carboxy-7-bromobenzofuranSCHEMBL5987785VRGGTOQHOVHAEU-UHFFFAOYSA-N7-Bromobenzofuran-5-carboxylicacidAKOS023567685
Show more names
7-bromo-1-benzofuran-5-carboxylic acid - [B86383]
5-Benzofurancarboxylic acid, 7-bromo-SB40618BS-43014SY027727CS-0050104EN300-127783P17986F602564
Database identifiers
- CAS
286836-25-7- PubChem CID
- 22144751
- EC Number
- 975-575-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 377.2 · 377.2±27.0 °C(Predicted)
- Density
- 1.784 · 1.784±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
4 records
Compound notes
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