4-（4-氯苯基）-1，2，3，6-四氢吡啶盐酸盐

4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride

HCID 2723612CAS 51304-61-1

子结构检索查找相似结构

基本信息

标准SMILES: Cl.Clc1ccc(C2=CCNCC2)cc1
InChIKey: NGDJUNABWNTULX-UHFFFAOYSA-N
分子式: C11H13Cl2N
平均分子量: 230.13 g/mol
单同位素质量: 229.04250478

名称与标识

首选名称: 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride
IUPAC: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
中文名: 4-（4-氯苯基）-1，2，3，6-四氢吡啶盐酸盐
英文名: 4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
分子式: C11H13Cl2N
分子量: 230.13

名称与别名

51304-61-1EINECS 257-126-64-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chlorideDTXSID20199304RefChem:514066DTXCID10121795257-126-64-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochlorideMFCD00012753CHEMBL20115664-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HCL

展开更多名称

4-（4-氯苯基）-1，2，3，6-四氢吡啶盐酸盐4-(4-氯苯基)-1,2,3,6-四氢吡啶单盐酸盐4-(4-Chlorophenyl)-1,2,3,6-tetrahydro-pyridine HCl4-(4-Chlorophenyl)-1,2,3-tetrahydropyridinehydrochloride4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride,97%4-(4-CHLOROPHENYL)-1,2,3,6-TETRALPHA-HYDROPYRIDINE HYDROCHLORIDE 97%Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1)

Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride4-(4-chlorophenyl)-1,2,5,6-tetrahydropyridine, chlorideTIMTEC-BB SBB003282Haloperidol Impurity 3LW3UBX2DKLSCHEMBL6528124-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine monohydrochlorideBCA30461

数据库标识

CAS: 51304-61-1
PubChem CID: 2723612
DTXSID: DTXSID20199304
ChEMBL: CHEMBL2011566
UNII: LW3UBX2DKL
EC Number: 257-126-6

性质

结构计算性质

极性表面积: 12 Å²
氢键供体: 2
氢键受体: 1
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 192

物理化学性质

熔点: 199 · 199-204 °C(lit.)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
形态: Crystalline Powder
颜色: White to light yellow
敏感性: Hygroscopic
CAS 数据库: 51304 · 51304-61-1(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全数据

wgk: 3
包装类别: III
危险等级: 6.1(b)
安全说明: 26-27-36/37/39-45-36
海关编码: 29333999
危险品标志: T,Xi
危险类别码: 23/24/25-40-36/37/38
危险品运输编号: UN 2811 6.1/PG 2

化学与工业

上下游产品信息

上游原料

对氯甲基苯乙烯甲醛氯化铵盐酸甲醇

试剂价格

10993 · 25g: 4-(4-氯苯基)-1，2，3，6-四氢吡啶盐酸盐4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, 97%, Thermo Scientific Chemicals — 6151元
10993 · 1g: 4-(4-氯苯基)-1，2，3，6-四氢吡啶盐酸盐4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, 97%, Thermo Scientific Chemicals — 447元