CAS 34798-68-0 N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid (HCID 615796)

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Basic information

CAS: 34798-68-0
Standard SMILES: Cc1cc(Nc2ccccc2C(=O)O)n(C)n1
InChIKey: YCWUYQQRIHWNLH-UHFFFAOYSA-N
Molecular formula: C12H13N3O2
Average molar mass: 231.25 g/mol
Monoisotopic mass: 231.10077666

Names & identifiers

Preferred name: N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
IUPAC: 2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid
English name: 2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]Benzoic acid
Molecular formula: C12H13N3O2
Molecular weight: 231.25

Names & synonyms

N-(1,3-DIMETHYL-5-PYRAZOLYL)ANTHRANILIC ACIDRefChem:823378667-451-934798-68-02-((1,3-Dimethyl-1H-pyrazol-5-yl)amino)benzoic acid2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]benzoic acidN-[1,3-Dimethylpyrazo-5-yl]anthranilic acidOprea1_1690872-(1,3-dimethyl-1H-pyrazol-5-ylamino)benzoic acidSCHEMBL5253749DTXSID80346857

Show more names

Benzoic acid, 2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]-

AKOS024323984BP-12007DA-06571N-(1,3-dimethyl-5-pyrazolyl)anthanilic acidN-(1,3-dimethyl-pyrazol-5-yl)anthranilic acidN-(1,3-dimethyl-pyrazol-5-yl) anthranilic acidN-(1,3-Dimethylpyrazol-5-yl)-anthranilic acid2-((1,3-Dimethyl-1H-pyrazol-5-yl)amino)benzoicacid

Database identifiers

CAS: 34798-68-0
PubChem CID: 615796
DTXSID: DTXSID80346857
EC Number: 667-451-9

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 285

Physicochemical properties

Boiling point: 418.6 · 418.6±35.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
pka: 3.57 · 3.57±0.36(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501