3-((4-Fluorophenyl)methoxy)benzoic acid
Basic information
- CAS
457-97-6- Standard SMILES
O=C(O)c1cccc(OCc2ccc(F)cc2)c1- InChIKey
IRGZUAFLKNHSLJ-UHFFFAOYSA-N- Molecular formula
- C14H11FO3
- Average molar mass
- 246.23 g/mol
- Monoisotopic mass
- 246.06922237
Names & identifiers
- Preferred name
- 3-((4-Fluorophenyl)methoxy)benzoic acid
- IUPAC
- 3-[(4-fluorophenyl)methoxy]benzoic acid
- English name
- 3-[(4-Fluorobenzyl)oxy]benzoic acid
- Molecular formula
- C14H11FO3
- Molecular weight
- 246.23
Names & synonyms
3-[(4-fluorophenyl)methoxy]benzoic acid3-((4-Fluorophenyl)methoxy)benzoic acidRefChem:488633872-695-6457-97-63-(4-Fluoro-benzyloxy)-benzoic acid3-((4-Fluorobenzyl)oxy)benzoic acid3-[(4-fluorobenzyl)oxy]benzoic acidCHEMBL5436554MFCD04536523Benzoic acid,3-[(4-fluorophenyl)methoxy]-SCHEMBL1168262
Show more names
Benzoic acid, 3-[(4-fluorophenyl)methoxy]-
DTXSID70359456IRGZUAFLKNHSLJ-UHFFFAOYSA-NALBB-0090643-((4-Fluorobenzyl)oxy)benzoicacid3-(4-Fluorobenzyloxy)-benzoic acidBBL015289BDBM50634299SBB011875
Database identifiers
- CAS
457-97-6- PubChem CID
- 964403
- DTXSID
DTXSID70359456- ChEMBL
CHEMBL5436554- EC Number
- 872-695-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H412-H302
- Precautionary statements
- 273 · P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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, P273, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H412-H302
- Precautionary statements
- P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
6 records
Compound notes
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