3-氯哒嗪

3-Chloropyridazine

HCID 11274989CAS 1120-95-2

子结构检索查找相似结构

基本信息

标准SMILES: Clc1cccnn1
InChIKey: IBWYHNOFSKJKKY-UHFFFAOYSA-N
分子式: C4H3ClN2
平均分子量: 114.53 g/mol
单同位素质量: 113.99847578

名称与标识

首选名称: 3-Chloropyridazine
IUPAC: 3-chloropyridazine
中文名: 3-氯哒嗪
英文名: 3-Chloropyridazine
分子式: C4H3ClN2
分子量: 114.53

名称与别名

3-Chloropyridazine1120-95-2DTXSID60460767RefChem:500528DTXCID50411586815-311-4pyridazine, 3-chloro-MFCD068013563-Chloro-1,2-diazine3-Chloro-pyridazinechloropyridazineF2124-1211

展开更多名称

3-氯哒嗪3-氯哒嗪(二氯甲烷/甲苯/二氧六环保护)IFLAB-BB F2124-04063-CHLOROPYRIDAZINE ISO 9001：2015 REACH

3-Chloropyridazine?New6-CHLORO-PYRIDAZINESCHEMBL28259SCHEMBL206886SCHEMBL7915233-Chloropyridazine, AldrichCPRSCHEMBL1652191SCHEMBL5752795

数据库标识

CAS: 1120-95-2
PubChem CID: 11274989
DTXSID: DTXSID60460767
EC Number: 815-311-4
Nikkaji: J151.402D

性质

结构计算性质

XLogP: 0.1
极性表面积: 25.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 57.7

实验与物化性质

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.1

物理化学性质

熔点: 35 °C · 35 °C
沸点: 241.7 · 241.7±13.0 °C(Predicted)
密度: 1.303 · 1.303±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解度: Chloroform (Very Slightly, Heated, Sonicated), Methanol (Slightly)
酸度系数(pKa): 0.99 · 0.99±0.10(Predicted)
形态: Solid
颜色: Grey to Black
稳定性: Unstable in DMSO

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.