4-叔丁基溴苯

1-Bromo-4-tert-butylbenzene

HCID 77595CAS 3972-65-4
子结构检索查找相似结构

基本信息

标准SMILES
CC(C)(C)c1ccc(Br)cc1
InChIKey
XHCAGOVGSDHHNP-UHFFFAOYSA-N
分子式
C10H13Br
平均分子量
213.11 g/mol
单同位素质量
212.02006

名称与标识

首选名称
1-Bromo-4-tert-butylbenzene
IUPAC
1-bromo-4-tert-butylbenzene
中文名
4-叔丁基溴苯
英文名
1-Bromo-4-tert-butylbenzene
分子式
C10H13Br
分子量
213.11

名称与别名

1-Bromo-4-tert-butylbenzene3972-65-41-Bromo-4-(1,1-dimethylethyl)benzeneDTXSID70192805RefChem:430539DTXCID70115296223-599-21-Bromo-4-(tert-butyl)benzene4-tert-Butylbromobenzene1-Bromo-4-Tert-ButYl-BenzeneMFCD00000108p-Bromo-tert-butylbenzene
展开更多名称
对溴叔丁苯对溴叔丁基苯对叔丁基溴苯4-溴叔丁苯叔丁基4溴苯4-叔丁基溴苯4-对溴叔丁基苯对溴叔丁基苯97%1-溴-4-叔丁基苯4-叔丁基溴苯 25Gp-tert-Butylphenyl bromide1-tert-Butyl-4-BromobenzeneBUTYLBROMOBENZENE
4-Bromo-tert-butylbenzene1-Bromo-4-t-butylbenzene4-tert-Butyl-1-bromobenzeneBenzene, 1-bromo-4-(1,1-dimethylethyl)-p-Bromo-t-butylbenzene4-t-Butylbromobenzene4-Bromo-t-butylbenzenep-tert-Butylbromobenzene

数据库标识

CAS
3972-65-4
PubChem CID
77595
DTXSID
DTXSID70192805
EC Number
223-599-2
Nikkaji
J217.803F

性质

结构计算性质

XLogP
4.4
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
1
重原子
11

物理化学性质

熔点
13 · 13-16 °C(lit.)
沸点
80 · 80-81 °C2 mm Hg(lit.)
密度
1.229 g/mL · 1.229 g/mL at 25 °C(lit.)
折射率
20 · n20/D 1.533(lit.)
闪点
97 °C · 97 °C
储存条件
Sealed in dry,Room Temperature

化学性质

本品为无色液体，b.p.94～96℃/266Pa，n20D 1.5309，不溶于水，溶于苯、二甲苯、氯苯等溶剂。

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Regulatory Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (10%)；Acute Tox. 4 (10%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10%)；STOT SE 3 (90%)

法规信息

Regulatory Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

安全数据

wgk
3
危险等级
IRRITANT
存储类别
10 - Combustible liquids
安全说明
23-24/25-37/39-26
海关编码
29036990
危险品标志
Xi

化学与工业

应用领域

用途对叔丁基溴苯是杀螨剂喹螨醚的中间体。

用途有机中间体

制备方法

生产方法其制备方法是在四口瓶中加入叔丁基苯、少量铁粉，在室温和搅拌下滴加液溴，滴毕，加热至35～40℃，反应4h，冷却至室温，搅拌过滤，反应液分别用Na2SO3液、NaOH水溶液及水洗涤，干燥，减压蒸馏得成品。

上下游产品信息

试剂价格

A15924 · 25g
4-叔-丁基溴苯, 97%1-Bromo-4-tert-butylbenzene, 97% — 405元
22519 · 100g
1-溴-4-特-丁基苯1-Bromo-4-tert-butylbenzene, 97%, Thermo Scientific Chemicals — 1420元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]

相关反应

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