2'-Methoxyphthalanilic acid
Basic information
- CAS
19336-96-0- Standard SMILES
COc1ccccc1NC(=O)c1ccccc1C(=O)O- InChIKey
JNINWXJHBOKKCT-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- 2'-Methoxyphthalanilic acid
- IUPAC
- 2-[(2-methoxyphenyl)carbamoyl]benzoic acid
- English name
- N-(2-Methoxy-phenyl)-phthalaMic acid
- Molecular formula
- C15H13NO4
- Molecular weight
- 271.27
Names & synonyms
19336-96-02'-Methoxyphthalanilic acidDTXSID20354072RefChem:439705DTXCID70305135666-090-42-[(2-methoxyphenyl)carbamoyl]benzoic acid2-((2-Methoxyphenyl)carbamoyl)benzoic acidN-(2-Methoxy-phenyl)-phthalamic acidOprea1_380195Oprea1_406186CBDivE_001278
Show more names
2-(2-MethoxyphenylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[[(2-methoxyphenyl)amino]carbonyl]-
CBDivE_006575MLS000713977SCHEMBL6802094N-(2-methoxyphenyl) phthalamicCHEMBL1319707HMS1674G12HMS2637M08HMS3362H01
Database identifiers
- CAS
19336-96-0- PubChem CID
- 762850
- DTXSID
DTXSID20354072- ChEMBL
CHEMBL1319707- EC Number
- 666-090-4
- Nikkaji
- J996.156I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- Boiling point
- 392.7 · 392.7±27.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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