4-(3-Chlorophenoxy)benzoic acid
Basic information
- CAS
1145-58-0- Standard SMILES
O=C(O)c1ccc(Oc2cccc(Cl)c2)cc1- InChIKey
KFOAXWSLHHLZQB-UHFFFAOYSA-N- Molecular formula
- C13H9ClO3
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0240218
Names & identifiers
- Preferred name
- 4-(3-Chlorophenoxy)benzoic acid
- IUPAC
- 4-(3-chlorophenoxy)benzoic acid
- English name
- 4-(3-chlorophenoxy)benzoic acid
- Molecular formula
- C13H9ClO3
- Molecular weight
- 248.66
Names & synonyms
4-(3-chlorophenoxy)benzoic acid1145-58-04-(3-Chlorophenoxy)-benzoic acidMFCD111221814-(3-chlorophenoxy)benzoicacidSCHEMBL10996319SCHEMBL15011761SCHEMBL30982340KFOAXWSLHHLZQB-UHFFFAOYSA-NDTXSID501303622BAA14558AKOS002679466
Show more names
Benzoic acid, 4-(3-chlorophenoxy)-
DA-22713SY180942TS-00764CS-0216835EN300-62233A50619F640601Z335442244
Database identifiers
- CAS
1145-58-0- PubChem CID
- 28911331
- DTXSID
DTXSID501303622- EC Number
- 156-459-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 134 · 134-136 °C
- Boiling point
- 393 · 393.0±27.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.27 · 4.27±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2918999090 · 2918999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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