4-[(2,4-Dichlorophenoxy)methyl]benzoic acid
Basic information
- CAS
149288-47-1- Standard SMILES
O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)cc1- InChIKey
SFELUKIAJDZQSF-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O3
- Average molar mass
- 297.1 g/mol
Names & identifiers
- Preferred name
- 4-[(2,4-Dichlorophenoxy)methyl]benzoic acid
- IUPAC
- 4-[(2,4-dichlorophenoxy)methyl]benzoic acid
- English name
- 4-(2,4-Dichloro-phenoxymethyl)-benzoic acid
- Molecular formula
- C14H10Cl2O3
- Molecular weight
- 297.13
Names & synonyms
4-[(2,4-dichlorophenoxy)methyl]benzoic acid149288-47-14-(2,4-Dichloro-phenoxymethyl)-benzoic acid4-((2,4-Dichlorophenoxy)methyl)benzoic acidMFCD01852441Oprea1_525913AK-968/13369429CHEMBL4851668SCHEMBL22480880ZFA28847SBB019753STK045236
Show more names
AKOS B001153ART-CHEM-BB B001153Benzoic acid, 4-[(2,4-dichlorophenoxy)methyl]-
AKOS000304226EBC-610492NCGC00333694-01DB-1531514-((2,4-Dichlorophenoxy)methyl)benzoicacidCS-0240324ST45157806EN300-227833
Database identifiers
- CAS
149288-47-1- ChEMBL
CHEMBL4851668
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 456.9 · 456.9±40.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
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Related reactions
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Compound notes
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