溴甲基环丙烷

Bromomethylcyclopropane

HCID 81503CAS 7051-34-5
子结构检索查找相似结构

基本信息

标准SMILES
BrCC1CC1
InChIKey
AEILLAXRDHDKDY-UHFFFAOYSA-N
分子式
C4H7Br
平均分子量
135 g/mol
单同位素质量
133.97311

名称与标识

首选名称
Bromomethylcyclopropane
IUPAC
bromomethylcyclopropane
中文名
溴甲基环丙烷
英文名
(Bromomethyl)cyclopropane
分子式
C4H7Br
分子量
135

名称与别名

(Bromomethyl)cyclopropane7051-34-5BromomethylcyclopropaneCyclopropane, (bromomethyl)-1-(bromomethyl)cyclopropaneCyclopropanemethyl bromideD8ZPP7X54BEINECS 230-331-8DTXSID40220785(BROMO)(CYCLOPROPYL)METHANERefChem:121604DTXCID70143276
展开更多名称
环丙甲基溴环丙溴甲烷环丙基甲基溴环丙基溴甲烷溴甲基环丙烷(溴甲基)环丙烷罗氟司特杂质18环丙基甲基溴化物溴甲基环丙烷 5G盐酸倍他洛尔中间体Cyclopropylcarbinyl bromideCPMBr(Bromomethyl)cyclopr(Xiu Jiaji)cyclopropaneBroMoMethyl)cyclopropanCyclopropylmethylbromidRoflumilast impurity 18CYCLOPROPYLMETYL BROMIDE
230-331-8AEILLAXRDHDKDY-UHFFFAOYSA-NCyclopropylmethyl bromideMFCD00001306bromocyclopropylmethaneCyclopropyl bromo methanebromomethyl cyclopropanecyclopropylmethylbromide

数据库标识

CAS
7051-34-5
PubChem CID
81503
DTXSID
DTXSID40220785
UNII
D8ZPP7X54B
EC Number
230-331-8
Nikkaji
J23.250E

性质

结构计算性质

XLogP
1.7
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
5

物理化学性质

熔点
87 · 87-90 °C
沸点
105 · 105-107 °C(lit.)
密度
1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
折射率
20 · n20/D 1.457(lit.)
闪点
107 °F · 107 °F
储存条件
2 · Inert atmosphere,2-8°C

化学性质

无色透明、易燃液体，无异味。密度1.433g/ml，沸点102-108℃，折射率1.4385。溶解于乙醇，醚，丙酮，苯。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 0.5% (1 of 182) of reports.

Danger

H225 (57.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (42.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (69.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (69.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (68.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 182 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 182 reports by companies.；There are 15 notifications provided by 181 of 182 reports by companies with hazard statement code(s).；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 Information · 3 条

Chemical: Cyclopropane, (bromomethyl)-

Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21443

Bromomethyl-cyclopropane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (57.1%)；Flam. Liq. 3 (42.3%)；Acute Tox. 4 (70.9%)；Skin Irrit. 2 (69.8%)；Eye Irrit. 2A (69.2%)；STOT SE 3 (68.7%)

法规信息

Regulatory Information · 3 条

Chemical: Cyclopropane, (bromomethyl)-

Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21443

Bromomethyl-cyclopropane: Does not have an individual approval but may be used under an appropriate group standard

安全数据

wgk
3
hazard_note
Irritant
包装类别
III
危险等级
3
存储类别
3 - Flammable liquids
安全说明
23-24/25-37/39-26-16-36/37/39

化学与工业

应用领域 · 3 条

应用溴甲基环丙烷是药物合成重要的中间体，在工业上也作为电子材料、医药、农药、染料、香料等有机合成的重要原料。

用途是重要的医药合成中间体，可用于合成纳曲酮（治疗药物依赖性）。

用途用作医药中间体

制备方法 · 1 条

生产方法实施例1（对照实验）：在氮气保护下，向反应容器中加入1250 mL二甲基甲酰胺（DMF），随后加入280.8 g三苯基膦。搅拌下加入70 g羟甲基环丙烷，室温反应30分钟。将反应液冷却至-10°C后，于4小时内缓慢滴加158.3 g溴（理论量的102%）。反应完成后，通过蒸馏纯化反应混合物，得到溴甲基环丙烷，收率为77.5%（基于理论值），产物纯度>97%，其中开链卤代烷烃含量为0.6%。参考文献：[1] Patent: US6008420, 1999, A[2] Patent: US2016/355452, 2016, A1. Location in patent: Paragraph 0062; 0063[3] Synthetic Communications, 1996, vol. 26, # 6, p. 1109 - 1115[4] Journal of the Chemical Society, Chemical Communications, 1982, # 18, p. 1037 - 1039[5] European Journal of Medicinal Chemistry, 1980, vol. 15, # 6, p. 571 - 573

上下游产品信息

试剂价格

HY-Y1100 · 25 g
溴甲基环丙烷Cyclopropylmethyl bromide — 150元
HY-Y1100 · 10 mM * 1 mLin DMSO
溴甲基环丙烷Cyclopropylmethyl bromide — 165元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

相关反应

1,476 条
新建反应记录

关联笔记

加载中…