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

HCID 616161CAS 14386-64-2

기본 정보

표준 SMILES: CC(C)(C)c1cc(C(=O)CBr)cc(C(C)(C)C)c1O
InChIKey: UYPXQSLSPUBZQW-UHFFFAOYSA-N
분자식: C16H23BrO2
평균 분자량: 327.26 g/mol
단동위원소 질량: 326.08814208

이름 및 식별자

우선 이름: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
IUPAC: 2-bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
영어명: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
분자식: C16H23BrO2
분자량: 327.26

이름 및 동의어

14386-64-22-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone2-Bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone2-bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-oneEthanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromo-MFCD001738892-bromo-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone3,5-Di(tert-butyl)-4-hydroxyphenacyl bromide2-bromo-1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-ethanone1-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-2-bromoethan-1-one3,5-di-t-butyl-4-hydroxyphenacyl bromide

이름 더 보기

1012333,5-Bis(tert-butyl)-4-hydroxyphenacylbromide2-Bromo-3,5-di-Tert-Butyl-4-Hydroxyacetophenone2-Bromo-3',5'-di-tert-butyl-4'-hydroxyacetophenone, 97%2-bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1-ethylone1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromoethanone2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one, 90+%

2-bromo-1-(3,SCHEMBL1189097DTXSID80346892SBB051670AKOS002662975AS-71986SY064536DB-024379

데이터베이스 식별자

CAS: 14386-64-2
PubChem CID: 616161
DTXSID: DTXSID80346892
EC Number: 634-295-8
Nikkaji: J2.043.156C

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 301

물리화학적 성질

녹는점: 105 °C · 105 °C
끓는 점: 347 ℃ · 347℃
밀도: 1.23 · 1.230
인화점: 164 ℃ · 164℃
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 8.08 · 8.08±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (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.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (11.4%)

안전 데이터

ridadr: UN1759
HS 번호: 2914500090
risk_code: 36/37/38
hazard_code: C,T
safety_code: 26-36/37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic/Corrosive/Lachrymatory/Keep Cold

화학 및 산업

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%).