Basic information
- CAS
18704-90-0- Standard SMILES
O=C(COc1ccccc1)Nc1ccc(C(=O)O)cc1- InChIKey
BYCOXQTUYQDEBX-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- 4-[(2-Phenoxyacetyl)amino]benzoic acid
- IUPAC
- 4-[(2-phenoxyacetyl)amino]benzoic acid
- English name
- Benzoic acid, 4-[(2-phenoxyacetyl)amino]-
- Molecular formula
- C15H13NO4
- Molecular weight
- 271.27
Names & synonyms
4-[(2-phenoxyacetyl)amino]benzoic acid18704-90-04-[(phenoxyacetyl)amino]benzoic acid4-(Phenoxyacetamido)benzoic acid4-(2-Phenoxy-acetylamino)-benzoic acidBenzoic acid, 4-[(phenoxyacetyl)amino]-4-(2-PHENOXYACETAMIDO)BENZOIC ACIDOprea1_108102DTXSID40309382CCG-46659NSC2118714-(2-phenoxyacetylamino)benzoic acid
Show more names
Benzoic acid, 4-[(2-phenoxyacetyl)amino]-
AKOS000106666NSC-211871ST50450142AG-205/07935006SR-01000636341-1Z54344730
Database identifiers
- CAS
18704-90-0- PubChem CID
- 309569
- DTXSID
DTXSID40309382- EC Number
- 167-803-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 200 · 200-203 °C(Solv: ethanol (64-17-5))
- Boiling point
- 550.8 · 550.8±35.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.10(Predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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