2-(2-Bromoethyl)-5-methyl-1,3,4-oxadiazole

2-(2-bromoethyl)-5-methyl-1,3,4-oxadiazole · 1,3,4-Oxadiazole, 2-(2-bromoethyl)-5-methyl-

https://huagongshe.com/ja/chemical/82184635

2-(2-Bromoethyl)-5-methyl-1,3,4-oxadiazole の分子構造式

識別子と物理属性

CAS No.	1267334-20-2
分子式	C5H7BrN2O
平均分子量	191.03 g/mol
単同位体質量	189.97418 g/mol
SMILES	Cc1nnc(CCBr)o1
InChIKey	BKCFQLQZAXYLLQ-UHFFFAOYSA-N
PubChem CID	82184635
EC No.	885-750-4

化学・物理的性質

XLogP	1.2
極性表面積	38.9
水素結合供与体数	0
水素結合受容体数	3
回転可能結合数	2
重原子数	9
形式電荷	0
複雑度	91
沸点	250.9±42.0 °C(Predicted)
密度	1.579±0.06 g/cm3(Predicted)
pKa（酸解離定数）	-3.61±0.32(Predicted)

安全性と法規制

GHS 分類	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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

DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)