2-((3-Chloro-2-methylphenyl)carbamoyl)benzoic acid
Basic information
- CAS
17332-26-2- Standard SMILES
Cc1c(Cl)cccc1NC(=O)c1ccccc1C(=O)O- InChIKey
GQCLHBMPPLQYMC-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- 2-((3-Chloro-2-methylphenyl)carbamoyl)benzoic acid
- IUPAC
- 2-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acid
- English name
- N-(3-Chloro-2-methyl-phenyl)-phthalamic acid
- Molecular formula
- C15H12ClNO3
- Molecular weight
- 289.71
Names & synonyms
17332-26-22-((3-chloro-2-methylphenyl)carbamoyl)benzoic acid2-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acidDTXSID20304133RefChem:249301DTXCID50255265653-883-5NSC164312CBMicro_016347Oprea1_122304Oprea1_828588SCHEMBL7825161
Show more names
N-(3-Chloro-2-methyl-phenyl)-phthalamic acid2-{[(3-chloro-2-methylphenyl)amino]carbonyl}benzoic acidBenzoic acid, 2-[[(3-chloro-2-methylphenyl)amino]carbonyl]-
CCG-5219STK0556213'-chloro-2'-methylphthalanilic acidAKOS000488378NSC-164312BIM-0016479.P001CS-0324195EU-0035790
Database identifiers
- CAS
17332-26-2- PubChem CID
- 295155
- DTXSID
DTXSID20304133- EC Number
- 653-883-5
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 374
Physicochemical properties
- Boiling point
- 390.7 · 390.7±42.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-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]
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
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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