Basic information
- CAS
19368-17-3- Standard SMILES
Cc1ccc(C)c(NC(=O)c2ccccc2C(=O)O)c1- InChIKey
SRYUZDZUEQZHOL-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 2',5'-Dimethylphthalanilic acid
- IUPAC
- 2-[(2,5-dimethylphenyl)carbamoyl]benzoic acid
- English name
- N-(2,5-Dimethyl-phenyl)-phthalamic acid
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
2',5'-Dimethylphthalanilic acidRefChem:439479666-368-519368-17-32-[(2,5-dimethylphenyl)carbamoyl]benzoic acid2-((2,5-Dimethylphenyl)carbamoyl)benzoic acidNSC164307Oprea1_554633Oprea1_671246SCHEMBL7821474DTXSID30304129STK055883
Show more names
N-(2,5-Dimethyl-phenyl)-phthalamic acid2-(2,5-DiMethylphenylcarbaMoyl)benzoic acid, 97%2-{[(2,5-dimethylphenyl)amino]carbonyl}benzoic acidBenzoic acid, 2-[[(2,5-dimethylphenyl)amino]carbonyl]-
AKOS000490309NSC-164307ST054416CS-03582832-((2,5-Dimethylphenyl)carbamoyl)benzoicacid2-[(2,5-dimethylanilino)carbonyl]benzoic acid2-[N-(2,5-dimethylphenyl)carbamoyl]benzoic acidAN-329/40723702
Database identifiers
- CAS
19368-17-3- PubChem CID
- 295151
- DTXSID
DTXSID30304129- EC Number
- 666-368-5
Properties
Computed structural properties
- XLogP
- 3
- 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
- 378.4 · 378.4±42.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-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
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 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H319-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [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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