3-溴苄胺 (HCID 457587)

名称与标识

首选名称: Benzenemethanamine, 3-bromo-
IUPAC: (3-bromophenyl)methanamine
中文名: 3-溴苄胺
英文名: 3-Bromobenzylamine
分子式: C7H8BrN
分子量: 186.05

名称与别名

3-Bromobenzylamine10269-01-9Benzenemethanamine, 3-bromo-DTXSID70145457RefChem:563268DTXCID3067948679-024-4(3-bromophenyl)methanamine1-(3-BROMOPHENYL)METHANAMINEMFCD010261193-bromobenzyl amineM-BROMOBENZYLAMINE

展开更多名称

间溴苄胺间溴苯甲胺3-溴苄胺3-溴苯甲胺6-溴苯甲胺3-溴苯甲胺*5间溴苄胺定制产品3-溴苯甲胺,97%3-溴苄胺(CAS号:10269-01-9)TIMTEC-BB SBB005796RARECHEM AL BW 00183-Bromobenzylamine >3-Bromobenzylamine 98%3-Bromobenzylamine,99%3-Bromobenzylamine, 97%3-Bromobenzenemethanamine

EN300-601574JH3-Bromo-benzylaminebenzylamine, 3-bromo-3-bromophenylmethylamine3-aminomethylbromobenzene(3-bromophenyl)methyl-amineSCHEMBL42450

数据库标识

CAS: 10269-01-9
PubChem CID: 457587
DTXSID: DTXSID70145457
ChEMBL: CHEMBL139288
EC Number: 679-024-4
Nikkaji: J358.834C

性质

结构计算性质

XLogP: 1.8
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 85

物理化学性质

沸点: 245 °C · 245°C(lit.)
密度: 1.48 g/ml · 1.48g/ml
折射率: 1.584 · 1.584-1.586
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
形态: Liquid
酸度系数(pKa): 8.77 · 8.77±0.10(Predicted)
颜色: Clear colorless to yellow
水溶解性: Slightly soluble in water.
敏感性: Air Sensitive
InChI: InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC(Br)=C1
CAS 数据库: 10269 · 10269-01-9(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (16.7%)

安全数据

包装类别: III
危险等级: 8
安全说明: 45-36/37/39-26
海关编码: 29214900
危险品标志: C
危险类别码: 34-21/22
危险品运输编号: UN2735

化学与工业

制备方法 · 1 条

制备在100mL单口瓶中加入间溴苄基叠氮(5mmol,1.06g)，溶剂氯仿(25mL)，氩气保护，2℃下滴加三溴化硼(18mmol,4.50g)的二氯甲烷溶液(25mL)，滴毕，45℃下反应14h，反应结束后，加乙醇(25mL)淬灭0.5h，反应液澄清，将反应液直接旋蒸浓缩，再用甲醇/乙醚重结晶得白色目标产物，收率84％(0.781g)。熔点：252-254℃；1HNMR(500MHz,CDCl3)δ7.45(s,1H),7.38(d,J＝8.0,1H),7.23(d,J＝7.5,1H),7.16(t,J＝7.5,1H),3.80(s,2H),2.85(bs,2H)；13CNMR(125MHz,CDCl3)δ144.0, 130.2,126.1,122.7,45.3；HRMS(ESI)calcdforC7H8BrN[M+H]+:184.98401；found: 184.98389.

上下游产品信息

上游原料

3-溴苄溴 3-溴苯甲酰胺间溴苯胺原甲酸三乙酯间溴苯甲醛

下游产品

间溴苯甲腈 N-甲基-3-溴苄胺佛尔酮 3-溴苯甲醇 3-苯基苯甲基胺 915923-10-3

试剂价格

XW021026901904 · 100G: 3-溴苄胺 — 835元
XW021026901903 · 25G: 3-溴苄胺 — 209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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海伟聂化工科技有限公司13046668259 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

关联笔记

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3-溴苄胺

基本信息