Basic information
- CAS
82788-35-0- Standard SMILES
COC(=O)c1cc2cc(CBr)ccc2o1- InChIKey
AWCPGVQAHZGMBK-UHFFFAOYSA-N- Molecular formula
- C11H9BrO3
- Average molar mass
- 269.09 g/mol
- Monoisotopic mass
- 267.97351
Names & identifiers
- Preferred name
- Methyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
- IUPAC
- methyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
- English name
- methyl 5-(bromomethyl)benzofuran-2-carboxylate
- Molecular formula
- C11H9BrO3
- Molecular weight
- 269.09136
Names & synonyms
methyl 5-(bromomethyl)-1-benzofuran-2-carboxylate82788-35-02-Benzofurancarboxylic acid, 5-(bromomethyl)-, methyl esterSCHEMBL1065627AWCPGVQAHZGMBK-UHFFFAOYSA-NDTXSID401189384HDA78835AKOS026729033DB-125281EN300-85598Methyl-5-bromomethyl-benzofuran-2-carboxylateG49741
Show more names
methyl 5-(bromomethyl)benzofuran-2-carboxylatemethyl5-(bromomethyl)-1-benzofuran-2-carboxylate
Database identifiers
- CAS
82788-35-0- PubChem CID
- 13662977
- DTXSID
DTXSID401189384- EC Number
- 123-503-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
3 records
Compound notes
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