Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate
Basic information
- CAS
308295-41-2- Standard SMILES
CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1Br- InChIKey
CMHMPCHOKDRHKB-UHFFFAOYSA-N- Molecular formula
- C14H13BrO5
- Average molar mass
- 341.15 g/mol
- Monoisotopic mass
- 339.99464
Names & identifiers
- Preferred name
- Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate
- IUPAC
- methyl 6-bromo-2-methyl-5-propanoyloxy-1-benzofuran-3-carboxylate
- English name
- methyl 6-bromo-2-methyl-5-(propionyloxy)benzofuran-3-carboxylate
- Molecular formula
- C14H13BrO5
- Molecular weight
- 341.15
Names & synonyms
308295-41-2methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylatemethyl 6-bromo-2-methyl-5-(propionyloxy)-1-benzofuran-3-carboxylateCBMicro_002631Oprea1_619765SMSF0018486methyl 6-bromo-2-methyl-5-propanoyloxy-1-benzofuran-3-carboxylateSTK887979AKOS001616568CB04220CCG-108514BIM-0002758.P001
Show more names
3-Benzofurancarboxylic acid, 6-bromo-2-methyl-5-(1-oxopropoxy)-, methyl ester
EU-0007469ST50038524SR-01000456923SR-01000456923-1F0821-0323Z2752554126-bromo-3-(methoxycarbonyl)-2-methylbenzo[b]furan-5-yl propanoatemethyl 6-bromo-2-methyl-5-(propionyloxy)benzofuran-3-carboxylate
Database identifiers
- CAS
308295-41-2- PubChem CID
- 703283
- EC Number
- 122-278-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 412.4 · 412.4±45.0 °C(Predicted)
- Density
- 1.477 · 1.477±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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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