1-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid

1-(2-Chlorophenyl)-1H-1,2,3-triazole-5-carboxylic Acid · 1H-1,2,3-Triazole-5-carboxylic acid, 1-(2-chlorophenyl)-

https://huagongshe.com/de/chemical/28811308

Molekülstruktur von 1-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	101870-66-0
Summenformel	C9H6ClN3O2
Durchschnittliche Molmasse	223,61 g/mol
Monoisotopische Masse	223,0148541 g/mol
SMILES	O=C(O)c1cnnn1-c1ccccc1Cl
InChIKey	IUOGIYMKNMIJDD-UHFFFAOYSA-N
PubChem CID	28811308
EC No.	894-022-5

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	68
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	252
Siedepunkt	463.9±51.0 °C(Predicted)
Dichte	1.54±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	3.08±0.50(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS-Einstufung

WarningH302 (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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)