1-(3,4-二氯苯基)哌嗪

1-(3,4-Dichlorophenyl)piperazine

HCID 93601CAS 57260-67-0

子结构检索查找相似结构

基本信息

标准SMILES: Clc1ccc(N2CCNCC2)cc1Cl
InChIKey: PXFJLKKZSWWVRX-UHFFFAOYSA-N
分子式: C10H12Cl2N2
平均分子量: 231.12 g/mol
单同位素质量: 230.03775374

名称与标识

首选名称: 1-(3,4-Dichlorophenyl)piperazine
IUPAC: 1-(3,4-dichlorophenyl)piperazine
中文名: 1-(3,4-二氯苯基)哌嗪
英文名: 1-(3,4-Dichlorophenyl)piperazine
分子式: C10H12Cl2N2
分子量: 231.12

名称与别名

1-(3,4-Dichlorophenyl)piperazine57260-67-0EINECS 260-652-9DTXSID70205883RefChem:74231DTXCID00128374260-652-9Piperazine, 1-(3,4-dichlorophenyl)-N-(3,4-Dichlorophenyl)piperazine1-(3,4-Dichlorophenyl)-piperazineMFCD00023128(3,4-dichlorophenyl)piperazine

展开更多名称

二氯苯基哌嗪阿立哌唑杂质27N-(3,4-二氯苯基)哌嗪1-(3,4-二氯苯基)哌嗪曲唑酮杂质QZT-IM-3-Z51-(3,4-二氯苯基)哌嗪,98%TIMTEC-BB SBB003275RARECHEM AH CK 0083Trazodone impurity QZT-IM-3-Z51-(3,4-Dichlorophenyl)piperazine>1,2-Dichloro-4-(1-piperazino)benzene1-(3,4-Dichlorophenyl)piperazine 98%

1-(3,4-dichloro-phenyl)-piperazineAripiprazole Impurity 2757260-67-0(free base)4-(3,4-dichlorophenyl)piperazineNL4M6B4NPVOprea1_322373SCHEMBL232689N-3,4-Dichlorophenylpiperazine

数据库标识

CAS: 57260-67-0
PubChem CID: 93601
DTXSID: DTXSID70205883
ChEMBL: CHEMBL2335159
UNII: NL4M6B4NPV
EC Number: 260-652-9
Nikkaji: J349.123D

性质

结构计算性质

XLogP: 2.9
极性表面积: 15.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 183

物理化学性质

熔点: 62 · 62-66 °C
沸点: 179 °C · 179 °C (15 mmHg)
密度: 1.2949 · 1.2949 (rough estimate)
折射率: 1.64 · 1.6400 (estimate)
闪点: 202 °C/15mm · 202°C/15mm
储存条件: 30 °C · Store below +30°C.
溶解度: DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa): 8.71 · 8.71±0.10(Predicted)
形态: Solid
颜色: Pale Beige to Pale Orange
BRN: 520169 · 520169
InChI: 1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey: PXFJLKKZSWWVRX-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)N2CCNCC2
CAS 数据库: 57260 · 57260-67-0(CAS DataBase Reference)
NIST化学物质信息: 1 · 1-(3,4-Dichlorophenyl)-piperazine(57260-67-0)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Corr. 1C (16.7%)

安全数据

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: 26-24/25-36
海关编码: 29335995
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38
危险品运输编号: 3259

化学与工业

上下游产品信息

上游原料

二乙二醇单甲醚碘化钾碳酸钾 3,4-二氯苯胺双（2-氯乙基）胺盐酸盐 4-甲基-2-戊酮吡啶正丁醇

试剂价格

L05544 · 5g: 1-(3,4-二氯苯基)哌嗪, 98%1-(3,4-Dichlorophenyl)piperazine, 98% — 366元
L05544 · 25g: 1-(3,4-二氯苯基)哌嗪, 98%1-(3,4-Dichlorophenyl)piperazine, 98% — 1371元