3-Methoxy-4-propoxybenzoyl chloride
Basic information
- CAS
3535-38-4- Standard SMILES
CCCOc1ccc(C(=O)Cl)cc1OC- InChIKey
YOSIMWRSPAHNQH-UHFFFAOYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.055322
Names & identifiers
- Preferred name
- 3-Methoxy-4-propoxybenzoyl chloride
- IUPAC
- 3-methoxy-4-propoxybenzoyl chloride
- English name
- 3-methoxy-4-propoxybenzoyl chloride
- Molecular formula
- C11H13ClO3
- Molecular weight
- 228.67
Names & synonyms
3-METHOXY-4-PROPOXYBENZOYL CHLORIDE3535-38-4MFCD11940223benzoyl chloride, 3-methoxy-4-propoxy-3-Methoxy-4-n-propoxybenzoyl chlorideDTXSID401294408ALBB-011376BBL037055STL5087383-methoxy-4-propoxy-benzoyl chlorideAKOS005173233VS-13848
Show more names
H26378F368844
Database identifiers
- CAS
3535-38-4- PubChem CID
- 46779643
- DTXSID
DTXSID401294408
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 162 · 162-164 °C(Press: 4 Torr)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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