Propan-2-yl 5-(chloromethyl)furan-2-carboxylate
Basic information
- CAS
90416-47-0- Standard SMILES
CC(C)OC(=O)c1ccc(CCl)o1- InChIKey
RQMSNEFRYKWKOW-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3
- Average molar mass
- 202.63 g/mol
- Monoisotopic mass
- 202.0396719
Names & identifiers
- Preferred name
- Propan-2-yl 5-(chloromethyl)furan-2-carboxylate
- IUPAC
- propan-2-yl 5-(chloromethyl)furan-2-carboxylate
- English name
- 5-Chloromethyl-furan-2-carboxylic acid isopropyl ester
- Molecular formula
- C9H11ClO3
- Molecular weight
- 202.63
Names & synonyms
90416-47-0propan-2-yl 5-(chloromethyl)furan-2-carboxylateisopropyl 5-(chloromethyl)furan-2-carboxylate5-Chloromethyl-furan-2-carboxylic acid isopropyl esterDTXSID00368450QDA41647MFCD04621462AKOS000116970VS-09712DB-078674CS-0220318EN300-06350
Show more names
2-Furancarboxylic acid, 5-(chloromethyl)-, 1-methylethyl ester
G54684Z56943383F2183-1448
Database identifiers
- CAS
90416-47-0- PubChem CID
- 2393475
- DTXSID
DTXSID00368450
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 289.8 · 289.8±30.0 °C(Predicted)
- Density
- 1.183 · 1.183±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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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