3,5-ジ-T-ブチル-4-ヒドロキシフェナシル=ブロミド

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

HCID 616161CAS 14386-64-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)c1cc(C(=O)CBr)cc(C(C)(C)C)c1O
InChIKey: UYPXQSLSPUBZQW-UHFFFAOYSA-N
分子式: C16H23BrO2
平均分子量: 327.26 g/mol
単同位体質量: 326.08814208

名称と識別子

優先名称: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
IUPAC: 2-bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
現地名: 3,5-ジ-T-ブチル-4-ヒドロキシフェナシル=ブロミド
英語名: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
分子式: C16H23BrO2
分子量: 327.26

名称と別名

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

名称をさらに表示

3,5-ジ-T-ブチル-4-ヒドロキシフェナシル=ブロミド2-ブロモ-1-[3,5-ジ(TERT-ブチル)-4-ヒドロキシフェニル]エタン-1-オン2-ブロモ-1-(3,5-ジ-TERT-ブチル-4-ヒドロキシフェニル)エタノン2-ブロモ-3',5'-ジ-TERT-ブチル-4'-ヒドロキシアセトフェノン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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.4
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 301

物理化学的性質

融点: 105 °C · 105 °C
沸点: 347 ℃ · 347℃
比重(密度): 1.23 · 1.230
闪点: 164 ℃ · 164℃
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): 8.08 · 8.08±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

ridadr: UN1759
hs_code: 2914500090
risk_code: 36/37/38
hazard_code: C,T
hazard_note: Toxic/Corrosive/Lachrymatory/Keep Cold
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III

化学と産業

調製方法

製造方法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%).