2-氯-3,4-二氨基吡啶

2-Chloropyridine-3,4-diamine

HCID 285736CAS 39217-08-8

子结构检索查找相似结构

基本信息

标准SMILES: Nc1ccnc(Cl)c1N
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
分子式: C5H6ClN3
平均分子量: 143.57 g/mol
单同位素质量: 143.0250249

名称与标识

首选名称: 2-Chloropyridine-3,4-diamine
IUPAC: 2-chloropyridine-3,4-diamine
中文名: 2-氯-3,4-二氨基吡啶
英文名: 2-Chloro-3,4-diaminopyridine
分子式: C5H6ClN3
分子量: 143.57

名称与别名

2-chloropyridine-3,4-diamineDTXSID90301412RefChem:470508DTXCID40252546686-011-739217-08-82-CHLORO-3,4-DIAMINOPYRIDINE3,4-Diamino-2-chloropyridine2-Chloro-3,4-pyridinediamineMFCD07363739NSC143160SCHEMBL337291

展开更多名称

2-氯吡啶-3,4-二胺2-氯-3,4-吡啶二胺2-氯-3,4-二氨基吡啶3,4-二氨基-2-氯吡啶2-氯-3,4-二氨基吡啶 1GNSC 143160oropyridine-3,4-diamine2-Chloro-3,4-pyridinediam...3,4-Pyridinediamine, 2-chloro-(4-amino-2-chloro-3-pyridyl)amine2-chloropyridine-3,4-diaMinehydrochloride

SCHEMBL29738526CS-D07762-CHLOROPYRIDIN-3,4-DIAMINESBB079600SC32213,4-Diamino-2-chloropyridine, 97%AKOS005257926GS-5810

数据库标识

CAS: 39217-08-8
PubChem CID: 285736
DTXSID: DTXSID90301412
EC Number: 686-011-7
Nikkaji: J1.876.825I

性质

结构计算性质

XLogP: 0.5
极性表面积: 64.9 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 98

物理化学性质

熔点: 158 · 158-163℃
沸点: 381.3 · 381.3±37.0 °C(Predicted)
密度: 1.447 · 1.447±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解度: soluble in Methanol
形态: powder to crystal
酸度系数(pKa): 4.79 · 4.79±0.42(Predicted)
颜色: Light yellow to Brown to Dark green
InChI: 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
SMILES: Nc1ccnc(Cl)c1N

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, 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.；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. 3 (97.7%)；Skin Sens. 1 (97.7%)；Eye Irrit. 2A (100%)

安全数据

wgk: 3
包装类别: Ⅲ
危险等级: 6.1
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
安全说明: 26-37-36/37-24/25-36/37/39
海关编码: 29333990
危险品标志: Xi,Xn
危险性类别: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
危险类别码: 36/37/38-43-36-22
危险品运输编号: 2811