Basic information
- CAS
17332-43-3- Standard SMILES
Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1C- InChIKey
NANJTVUHWVLWBC-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
- IUPAC
- 2-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
- English name
- N-(2,3-Dimethylphenyl)phthalamidic acid
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
17332-43-3Phthalanilic acid, 2',3'-dimethyl-2',3'-Dimethylphthalanilic acidMP 14P6I8UNJ2OB2,3-Dimethyl anilide of phthalic acidNSC 164309BRN 2862546NSC-164309DTXSID401695892-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acidN-(2,3-XYLYL)PHTHALAMIC ACID
Show more names
MP-142-(2,3-DiMethylphenylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[[(2,3-dimethylphenyl)amino]carbonyl]-
BENZOIC ACID, 2-(((2,3-DIMETHYLPHENYL)AMINO)CARBONYL)-RefChem:446713DTXCID5092080666-318-22-[(2,3-dimethylphenyl)carbamoyl]benzoic acid2-((2,3-Dimethylphenyl)carbamoyl)benzoic acidN-(2,3-Dimethylphenyl)phthalamidic acidUNII-P6I8UNJ2OB
Database identifiers
- CAS
17332-43-3- PubChem CID
- 98770
- DTXSID
DTXSID40169589- ChEMBL
CHEMBL5596037- UNII
- P6I8UNJ2OB
- EC Number
- 666-318-2
- Nikkaji
- J60.503D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 383.3 · 383.3±42.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
- FDA UNII
- 6 I8UNJ2OB · P6I8UNJ2OB
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H302-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers5 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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