3,5-Dichloro-4-phenylmethoxybenzoic acid
Basic information
- CAS
41490-13-5- Standard SMILES
O=C(O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1- InChIKey
GNTMPTOVLRQSBQ-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O3
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 296.0006996
Names & identifiers
- Preferred name
- 3,5-Dichloro-4-phenylmethoxybenzoic acid
- IUPAC
- 3,5-dichloro-4-phenylmethoxybenzoic acid
- English name
- 3,5-Dichloro-4-phenylmethoxybenzoic acid
- Molecular formula
- C14H10Cl2O3
- Molecular weight
- 297.13
Names & synonyms
41490-13-53,5-dichloro-4-phenylmethoxybenzoic acid4-(Benzyloxy)-3,5-dichlorobenzoic acid4-benzyloxy-3,5-dichlorobenzoic acidMFCD06203475NSC-2122024-benzyloxy-3,5-dichloro-benzoic acidBenzoic acid, 3,5-dichloro-4-(phenylmethoxy)-NSC2122023,5-dichloro-4-benzyloxybenzoic acidLA3N7D956PSCHEMBL1457712
Show more names
DTXSID30309513GNTMPTOVLRQSBQ-UHFFFAOYSA-NSTL573084AKOS0228579763,5-Dichloro-4-(phenylmethoxy)benzoic acidCS-0195450E89847F632694
Database identifiers
- CAS
41490-13-5- PubChem CID
- 309764
- DTXSID
DTXSID30309513- UNII
- LA3N7D956P
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
- 293
Physicochemical properties
- Boiling point
- 438 · 438.0±40.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.72 · 3.72±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 3 N7D956P · LA3N7D956P
- 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
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Compound notes
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