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/ja/chemical/28811308

1-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid の分子構造式

識別子と物理属性

CAS No.	101870-66-0
分子式	C9H6ClN3O2
平均分子量	223.61 g/mol
単同位体質量	223.0148541 g/mol
SMILES	O=C(O)c1cnnn1-c1ccccc1Cl
InChIKey	IUOGIYMKNMIJDD-UHFFFAOYSA-N
PubChem CID	28811308
EC No.	894-022-5

化学・物理的性質

XLogP	1.8
極性表面積	68
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	2
重原子数	15
形式電荷	0
複雑度	252
沸点	463.9±51.0 °C(Predicted)
密度	1.54±0.1 g/cm3(Predicted)
pKa（酸解離定数）	3.08±0.50(Predicted)

安全性と法規制

GHS 分類	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 分類

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%)