4-苄氧基溴苯 (HCID 138835)

名称与标识

首选名称: 1-Bromo-4-phenylmethoxybenzene
IUPAC: 1-bromo-4-phenylmethoxybenzene
中文名: 4-苄氧基溴苯
英文名: 4-Benzyloxybromobenzene
分子式: C13H11BrO
分子量: 263.13

名称与别名

1-(Benzyloxy)-4-bromobenzene1-bromo-4-phenylmethoxybenzeneRefChem:430670614-179-34-Benzyloxybromobenzene6793-92-61-Benzyloxy-4-bromobenzene1-bromo-4-(phenylmethoxy)benzene1-bromo-4-benzyloxybenzene4-benzyloxy-1-bromobenzeneC13H11BrO1-benzyloxy-4-bromo-benzene

展开更多名称

对苄氧基溴苯4-溴苯苄醚4-溴苯基苄醚4-苄氧基溴苯4-(苯甲氧基)溴苯1-苄氧基-4-溴苯1-溴-4-苄氧基苯4-苄氧基溴苯,98%4-苄氧基溴苯 10G1-苯甲氧基-4-溴苯4-BenzyLAURORA KA-4380oxybromobenzene4-BenzyloxybromobenzBenzyloxybromobenzene-Benzyloxybromobenzenep-Bromophenyl benzyl eth1-phenoxy-4-bromobenzene

MFCD000280164-(benzyloxy)bromobenzeneBenzyl p-bromophenyl ether4-bromophenyl benzyl etherBenzyl 4-Bromophenyl EtherBenzyl4-(Bromophenyl)-ether-d4Benzene, 1-bromo-4-(phenylmethoxy)-1-Bromo-4-[(phenylmethyl)oxy]benzene

数据库标识

CAS: 6793-92-6
PubChem CID: 138835
DTXSID: DTXSID40218142
EC Number: 614-179-3
Nikkaji: J397.267D

性质

结构计算性质

XLogP: 4.5
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 169

物理化学性质

熔点: 60 · 60-63 °C (lit.)
沸点: 166 · 166-167 °C/4 mmHg (lit.)
密度: 1.3883 · 1.3883 (rough estimate)
折射率: 1.513 · 1.5130 (estimate)
闪点: 166 · 166-167°C/3mm
储存条件: Sealed in dry,Room Temperature
溶解度: Chloroform, Methanol (Slightly, Heated)
形态: powder to crystal
颜色: White to Orange to Green
BRN: 1371040 · 1371040
InChI: InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(OCC2=CC=CC=C2)C=C1
CAS 数据库: 6793 · 6793-92-6(CAS DataBase Reference)
NIST化学物质信息: 4 · 4-Benzyloxybromobenzene(6793-92-6)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 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 InformationStatus: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035

Hazard Classes and CategoriesSkin Irrit. 2 (15.6%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

法规信息

Regulatory InformationStatus: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035

安全数据

wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 26-36-37
海关编码: 29093090
危险品标志: Xi,Xn
危险类别码: 36/37/38-20/21/22

化学与工业

应用领域

用途4-苄氧基溴苯为烃类衍生物，可用作药物合成及化工生产中常用的中间体。

制备方法

合成方法4-苄氧基溴苯的合成过程如下：将对溴苯酚、氯苄、无水碳酸钾及碘化钾置于 250ml 三口瓶中，加入 170ml 无水乙醇。搅拌下，80℃ 加热回流 6h ，经 TLC 检测，原料基本反应完全。停止反应，将反应液倒入 1000ml 蒸馏水中，充分搅拌，除去残余的无机盐。抽滤，得类白色固体，无水乙醇重结晶，得50g灰白色粉末，收率 88.5%。

上下游产品信息

上游原料

4-溴苯基三氟甲磺酸酯 4-苄氧基苄醇 2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷对(三甲基硅氧基)溴苯 4-溴乙酸苯酯 (4-溴苯氧基)叔丁基二甲基硅烷氯化苄 4-溴苯酚

下游产品

1-(4-氨基苯基)-4-(4-羟基苯基)哌嗪溴苯苄基苯基醚 4-苄氧基苯胺 ALPHA,ALPHA-二甲基-4-(苯基甲氧基)苯甲醇

试剂价格

B2127 · 5G: 1-苄氧基-4-溴苯1-Benzyloxy-4-bromobenzene — 30元
B2127 · 25G: 1-苄氧基-4-溴苯1-Benzyloxy-4-bromobenzene — 130元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

怀化宝华生物科技有限公司0519-82698292 · [email protected]

关联笔记

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4-苄氧基溴苯

基本信息