CAS 235088-69-4 3,4,5-三氟苄胺 (HCID 2777048)

基本信息

CAS: 235088-69-4
标准SMILES: NCc1cc(F)c(F)c(F)c1
InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N
分子式: C7H6F3N
平均分子量: 161.12 g/mol
单同位素质量: 161.04523385

名称与标识

首选名称: 3,4,5-Trifluorobenzylamine
IUPAC: (3,4,5-trifluorophenyl)methanamine
中文名: 3,4,5-三氟苄胺
英文名: 3,4,5-Trifluorobenzylamine
分子式: C7H6F3N
分子量: 161.12

名称与别名

3,4,5-Trifluorobenzylamine235088-69-4DTXSID50380349RefChem:485710DTXCID90331375671-907-2(3,4,5-trifluorophenyl)methanamine3,4,5-trifluorobenzyl amine(3,4,5-trifluorophenyl)methylamineMFCD00236318Benzenemethanamine, 3,4,5-trifluoro-1-(3,4,5-trifluorophenyl)methanamine

展开更多名称

3,4,5-三氟苄胺(3,4,5-三氟苯基)甲胺3,4,5-三氟苄胺,97%RARECHEM AL BW 07013,4,5-TrifluorobenzyTrifluorobenzylamine 345-3,4,5-Trifluorobenzylamine98%3,4,5-Trifluorobenzylamine 98%3,4,5-Trifluorobenzylamine,97%3,4,5-trifluorobenzyl aMine*HCl3,4,5-Trifluorobenzenemethanamine

SCHEMBL1764604CK2434EN300-1611701SCHEMBL2089011BDBM626031SBB087498AKOS009157406CS-W014325

数据库标识

CAS: 235088-69-4
PubChem CID: 2777048
DTXSID: DTXSID50380349
EC Number: 671-907-2
Nikkaji: J2.262.037A

性质

结构计算性质

XLogP: 1.1
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 119

物理化学性质

沸点: 176.3 · 176.3±35.0 °C(Predicted)
密度: 1.32 · 1.320±0.06 g/cm3(Predicted)
折射率: 1.4736 · 1.4736
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
形态: liquid
酸度系数(pKa): 8.49 · 8.49±0.10(Predicted)
颜色: Clear, colourless
敏感性: Air Sensitive
InChI: 1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N
SMILES: NCc1cc(F)c(F)c(F)c1
CAS 数据库: 235088 · 235088-69-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全数据

wgk: WGK 3
hazard_note: Irritant
包装类别: II
危险等级: 8
存储类别: 11 - Combustible Solids
安全说明: 26-36/37/39-45
海关编码: 2921490090
危险品标志: Xi
危险类别码: 34
危险品运输编号: 2735

化学与工业

应用领域

应用3,4,5-三氟苄胺用作有机合成中间体和医药中间体，主要用于实验室研发过程和化工生产过程中。

供应商80 家

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

化合物笔记

加载中…