Methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Basic information
- CAS
308296-10-8- Standard SMILES
COC(=O)c1c(C)oc2ccc(OCc3ccccc3Br)cc12- InChIKey
PGBWNVWYCUSRBB-UHFFFAOYSA-N- Molecular formula
- C18H15BrO4
- Average molar mass
- 375.2 g/mol
- Monoisotopic mass
- 374.01537
Names & identifiers
- Preferred name
- Methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
- English name
- methyl 5-((2-bromobenzyl)oxy)-2-methylbenzofuran-3-carboxylate
- Molecular formula
- C18H15BrO4
- Molecular weight
- 375.21
Names & synonyms
methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate308296-10-86240-35-3methyl 5-((2-bromobenzyl)oxy)-2-methylbenzofuran-3-carboxylatemethyl 5-[(2-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylateMETHYL 5-((2-BROMOBENZYL)OXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATECBMicro_003204Oprea1_046207DTXSID20977962SMSF0018866STK888054AKOS001616272
Show more names
3-Benzofurancarboxylic acid, 5-[(2-bromophenyl)methoxy]-2-methyl-, methyl ester
CB04916CCG-274243BIM-0003313.P001ST50038603SR-01000456958SR-01000456958-1F3110-2521methyl 5-[(2-bromophenyl)methoxy]-2-methylbenzo[b]furan-3-carboxylate
Database identifiers
- CAS
308296-10-8、6240-35-3- PubChem CID
- 979409
- DTXSID
DTXSID20977962- EC Number
- 122-297-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 468.4 · 468.4±40.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
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]
P264, P270, P273, P301+P317, P330, 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%)
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Related reactions
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Compound notes
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