6-Bromo-1-benzofuran-2-carboxylic acid
Basic information
- CAS
439107-94-5- Standard SMILES
O=C(O)c1cc2ccc(Br)cc2o1- InChIKey
ULBSHNJYWRMJRZ-UHFFFAOYSA-N- Molecular formula
- C9H5BrO3
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.94220612
Names & identifiers
- Preferred name
- 6-Bromo-1-benzofuran-2-carboxylic acid
- IUPAC
- 6-bromo-1-benzofuran-2-carboxylic acid
- English name
- 6-Bromo-1-benzofuran-2-carboxylic acid
- Molecular formula
- C9H5BrO3
- Molecular weight
- 241.04
Names & synonyms
6-bromo-1-benzofuran-2-carboxylic acidRefChem:540548830-951-46-Bromobenzofuran-2-carboxylic acid439107-94-5MFCD030129136-BROMO-2-BENZOFURANCARBOXYLIC ACIDBionet2_0012462-BENZOFURANCARBOXYLIC ACID, 6-BROMO-2-Benzofurancarboxylic acid,6-bromo-6-Bromobenzofuran-2-carboxylicacid6-Bromobenzofuran-2-carboxyli
Show more names
SCHEMBL2197426DTXSID70363053ULBSHNJYWRMJRZ-UHFFFAOYSA-NHMS1367I14AKOS016007146DP-0001MB02552AC-27183
Database identifiers
- CAS
439107-94-5- PubChem CID
- 1474471
- DTXSID
DTXSID70363053- EC Number
- 830-951-4
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to light brown Solid
- InChI
- InChI=1S/C9H5BrO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
- InChIKey
- ULBSHNJYWRMJRZ-UHFFFAOYSA-N
- SMILES
- O1C2=CC(Br)=CC=C2C=C1C(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2932990090 · 2932990090
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%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
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