2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one

101233 · 3,5-DI(TERT-BUTYL)-4-HYDROXYPHENACYL BROMIDE · 3,5-Bis(tert-butyl)-4-hydroxyphenacylbromide · 2-Bromo-3,5-di-Tert-Butyl-4-Hydroxyacetophenone · 2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone · 2-Bromo-3',5'-di-tert-butyl-4'-hydroxyacetophenone, 97% · 2-bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1-ethylone · 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one

https://huagongshe.com/ko/chemical/616161

2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one 분자 구조식

식별자 및 물리적 특성

CAS No.	14386-64-2
분자식	C16H23BrO2
평균 분자량	327.26 g/mol
단동위원소 질량	326.08814208 g/mol
SMILES	CC(C)(C)c1cc(C(=O)CBr)cc(C(C)(C)C)c1O
InChIKey	UYPXQSLSPUBZQW-UHFFFAOYSA-N
PubChem CID	616161
EC No.	634-295-8
DTXSID	DTXSID80346892

화학 및 물리적 성질

XLogP	5.4
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	19
형식 전하	0
복잡도	301
녹는점	105 °C
끓는 점	347℃
밀도	1.230
인화점	164℃
저장 조건	Inert atmosphere,2-8°C
pKa(산도 계수)	8.08±0.40(Predicted)

안전 및 규제

GHS 분류	DangerH314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Corr. 1B (11.4%)
운송 번호(UN)	UN1759
관세 코드	2914500090
위험 문구(R)	36/37/38
위험 표시	C,T
안전 문구(S)	26-36/37/39
포장분류	III
위험 등급	8
위험 참고 사항	Toxic/Corrosive/Lachrymatory/Keep Cold

제조 및 합성 방법

제조 방법

Also obtained by reaction of bromine with 4-hydroxy-3,5-ditert-butylacetophenone in the presence of aluminium chloride in octane at 70° for 30 min (91%).