3-[(4-메톡시벤질)티오]-1H-1,2,4-트라이아졸

3-[(4-메톡시벤질)티오]-1H-1,2,4-트라이아졸 · 3-(4-methoxy-benzylsulfanyl)-4H-[1,2,4]triazole · 1H-1,2,4-Triazole, 5-[[(4-methoxyphenyl)methyl]thio]-

https://huagongshe.com/ko/chemical/720484

식별자 및 물리적 특성

CAS No.	17357-75-4
분자식	C10H11N3OS
평균 분자량	221.28 g/mol
단동위원소 질량	221.06228316 g/mol
SMILES	COc1ccc(CSc2ncn[nH]2)cc1
InChIKey	KFYAPEBBSZVGIF-UHFFFAOYSA-N
PubChem CID	720484
EC No.	681-382-1
DTXSID	DTXSID50352162
현지명	3-[(4-메톡시벤질)티오]-1H-1,2,4-트라이아졸

화학 및 물리적 성질

XLogP	2.3
극성 표면적	76.1
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	15
형식 전하	0
복잡도	186
녹는점	85-87°
끓는 점	428.9±47.0 °C(Predicted)
밀도	1.31±0.1 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	8.85±0.20(Predicted)

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
위험 등급	IRRITANT

GHS 분류

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

위험 등급

IRRITANT