3-Bromo-4-methylfuran
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Basic information
- CAS
176042-58-3- Standard SMILES
Cc1cocc1Br- InChIKey
PPIZXLDQECIGOA-UHFFFAOYSA-N- Molecular formula
- C5H5BrO
- Average molar mass
- 161 g/mol
- Monoisotopic mass
- 159.95238
Names & identifiers
- Preferred name
- 3-Bromo-4-methylfuran
- IUPAC
- 3-bromo-4-methylfuran
- English name
- Furan, 3-bromo-4-methyl- (9CI)
- Molecular formula
- C5H5BrO
- Molecular weight
- 161
Names & synonyms
3-bromo-4-methylfuran176042-58-3Furan, 3-bromo-4-methyl- (9CI)3-bromo-4-methyl-Furanfuran, 3-bromo-4-methyl-SCHEMBL17205088MFCD15144020AT50269SY298744InChI=1/C5H5BrO/c1-4-2-7-3-5(4)6/h2-3H,1H
Database identifiers
- CAS
176042-58-3- PubChem CID
- 641483
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Physicochemical properties
- Boiling point
- 135.2 · 135.2±20.0 °C(Predicted)
- Density
- 1.537 · 1.537±0.06 g/cm3(Predicted)
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932190090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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