2-{[5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide

SALOR-INT L249580-1EA · 2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(3-CHLOROPHENYL)METHYLIDENE]ACETOHYDRAZIDE · 2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-(3-CHLOROPHENYL)METHYLIDENE]ACETOHYDRAZIDE

https://huagongshe.com/ko/chemical/9671237

2-{[5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide 분자 구조식

식별자 및 물리적 특성

CAS No.	330838-34-1
분자식	C21H19BrClN5OS
평균 분자량	504.8 g/mol
단동위원소 질량	503.01822 g/mol
SMILES	C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Br)cc1
InChIKey	WCWQNTPYZABQDK-BHGWPJFGSA-N
PubChem CID	9671237
EC No.	651-124-2

화학 및 물리적 성질

XLogP	5.6
극성 표면적	97.5
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	8
무거운 원자 수	30
형식 전하	0
복잡도	616

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 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	Skin Irrit. 2 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315