Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate
Basic information
- CAS
58041-99-9- Standard SMILES
COC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1- InChIKey
HLXHDXRVKGTGOC-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2O3
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 310.0163496
Names & identifiers
- Preferred name
- Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate
- IUPAC
- methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate
- English name
- Methyl 3-[(2,4-dichlorobenzyl)oxy]benzenecarboxylate
- Molecular formula
- C15H12Cl2O3
- Molecular weight
- 311.16
Names & synonyms
58041-99-9methyl 3-[(2,4-dichlorophenyl)methoxy]benzoateMethyl 3-((2,4-dichlorobenzyl)oxy)benzoateMethyl 3-[(2,4-dichlorobenzyl)oxy]-benzenecarboxylateMFCD01568893methyl 3-[(2,4-dichlorobenzyl)oxy]benzene carboxylatemethyl 3-[(2,4-dichlorobenzyl)oxy]benzenecarboxylatemethyl 3-[(2,4-dichlorobenzyl)oxy]benzoateDTXSID20363427AKOS005069809CS-03654061P-031
Show more names
Benzoic acid, 3-[(2,4-dichlorophenyl)methoxy]-, methyl ester
Database identifiers
- CAS
58041-99-9- PubChem CID
- 1490852
- DTXSID
DTXSID20363427
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 116 · 116-118°
- Boiling point
- 417.6 · 417.6±35.0 °C(Predicted)
- Density
- 1.318 · 1.318±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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