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/ko/chemical/82184635

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

식별자 및 물리적 특성

CAS No.	1267334-20-2
분자식	C5H7BrN2O
평균 분자량	191.03 g/mol
단동위원소 질량	189.97418 g/mol
SMILES	Cc1nnc(CCBr)o1
InChIKey	BKCFQLQZAXYLLQ-UHFFFAOYSA-N
PubChem CID	82184635
EC No.	885-750-4

화학 및 물리적 성질

XLogP	1.2
극성 표면적	38.9
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	91
끓는 점	250.9±42.0 °C(Predicted)
밀도	1.579±0.06 g/cm3(Predicted)
pKa(산도 계수)	-3.61±0.32(Predicted)

안전 및 규제

GHS 분류	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 분류

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%)