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/ja/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 の分子構造式

識別子と物理属性

CAS No.	330838-34-1
分子式	C21H19BrClN5OS
平均分子量	504.8 g/mol
単同位体質量	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

化学・物理的性質

XLogP	5.6
極性表面積	97.5
水素結合供与体数	1
水素結合受容体数	5
回転可能結合数	8
重原子数	30
形式電荷	0
複雑度	616

安全性と法規制

GHS 分類	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%)
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315