4-[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoesure

4-[(3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]benzoic acid · 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid · 4-((3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YL)DIAZENYL)BENZOIC ACID · Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-

https://huagongshe.com/de/chemical/35686

Molekülstruktur von 4-[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoesure

Identifikatoren & physikalische Daten

CAS No.	30926-22-8
Summenformel	C17H14N4O3
Durchschnittliche Molmasse	322,32 g/mol
Monoisotopische Masse	322,10659032 g/mol
SMILES	CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1
InChIKey	RCYTWTBFGNSMQC-UHFFFAOYSA-N
PubChem CID	35686
EC No.	250-392-4
DTXSID	DTXSID90885489
Lokaler Name	4-[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoesure

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	94,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	4
Schwere Atome	24
Formalladung	0
Komplexität	546
EPA chemische Informationen	Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]- (30926-22-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, 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 Classes and Categories	Acute Tox. 3 (100%)
TSCA-Inventar-Status	TSCA listed