Basic information
- CAS
345891-29-4- Standard SMILES
COC(=O)c1cc(Br)oc1CBr- InChIKey
UDRDKZCLXJYHPY-UHFFFAOYSA-N- Molecular formula
- C7H6Br2O3
- Average molar mass
- 297.93 g/mol
- Monoisotopic mass
- 295.86836825
Names & identifiers
- Preferred name
- Methyl 5-bromo-2-(bromomethyl)furan-3-carboxylate
- IUPAC
- methyl 5-bromo-2-(bromomethyl)furan-3-carboxylate
- English name
- 5-Bromo-2-bromomethyl-furan-3-carboxylic acid methyl ester
- Molecular formula
- C7H6Br2O3
- Molecular weight
- 297.93
Names & synonyms
methyl 5-bromo-2-(bromomethyl)furan-3-carboxylate345891-29-43-Furancarboxylic acid, 5-bromo-2-(bromomethyl)-, methyl esterSCHEMBL1674226UDRDKZCLXJYHPY-UHFFFAOYSA-NDTXSID701232455DB-320030EN300-23316167Methyl 5-bromo-2-(bromomethyl)-3-furancarboxylate5-Bromo-2-bromomethyl-furan-3-carboxylic Acid Methyl Ester
Database identifiers
- CAS
345891-29-4- PubChem CID
- 15534191
- DTXSID
DTXSID701232455- EC Number
- 194-933-1
- Nikkaji
- J1.493.128G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 320.1 · 320.1±42.0 °C(Predicted)
- Density
- 1.912 · 1.912±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
12 records
Compound notes
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