2-脒基吡啶盐酸盐 (HCID 12403615)

名称与标识

首选名称: Pyridine-2-carboximidamide hydrochloride
IUPAC: pyridine-2-carboximidamide;hydrochloride
中文名: 2-脒基吡啶盐酸盐
英文名: Pyridine-2-carboximidamide hydrochloride
分子式: C6H8ClN3
分子量: 157.6

名称与别名

pyridine-2-carboximidamide hydrochlorideRefChem:870733676-441-351285-26-8picolinimidamide hydrochloride2-Amidinopyridine hydrochloridePyridine-2-carboxamidine hydrochlorideMFCD00052271pyridine-2-carboximidamide;hydrochloridePICOLINAMIDINE HYDROCHLORIDE2-AMIDINOPYRIDINIUM CHLORIDE61097-49-2

展开更多名称

2-吡啶脒盐酸盐2-脒基氯化吡啶-脒基吡啶盐酸盐2-脒基吡啶盐酸盐2-亚氨基氯化吡啶吡啶-2-甲脒盐酸盐2-胺基吡啶咪盐酸盐2-吡啶甲酰亚胺盐酸盐2-甲脒基吡啶水合盐酸盐2-脒基吡啶盐酸盐 1G2-AmidinopyridineBUTTPARK 32\03-542-AmidinopyridiniumHClhydratePyridin-2-carboximidamide HClPyridine-2-carboximidamide, HCl

Pyridine-2-carboxamidine HCl2-Pyridinecarboximidamide, monohydrochloride2-PYRIDINECARBOXIMIDAMIDE HYDROCHLORIDEPICOLINAMIDINE HCLPICOLINIMIDAMIDE HCLpicolinimidamidehydrochloridePicolinimidamide xhydrochlorideSCHEMBL857460

数据库标识

CAS: 51285-26-8
PubChem CID: 12403615
DTXSID: DTXSID30496598
EC Number: 676-441-3

性质

结构计算性质

极性表面积: 62.8 Å²
氢键供体: 3
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 111

物理化学性质

熔点: 150 · 150-152°C
储存条件: Inert atmosphere,Room Temperature
形态: crystals
颜色: Off-white
敏感性: Hygroscopic
BRN: 3562671 · 3562671
InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChIKey: GMHCEDDZKAYPLB-UHFFFAOYSA-N
SMILES: C(C1N=CC=CC=1)(N)=N.Cl
CAS 数据库: 51285 · 51285-26-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 8 reports by companies from 5 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. 4 (12.5%)；Acute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (12.5%)；STOT SE 3 (87.5%)

安全数据

危险等级: IRRITANT
安全说明: 26-36-37/39-37
海关编码: 29333990
危险品标志: Xi
危险类别码: 36/37/38

化学与工业

制备方法 · 1 条

生产方法以2-氰基吡啶为原料合成2-脒基吡啶盐酸盐的一般步骤：将2-氰基吡啶（26.01 g）与甲醇钠溶液在室温下搅拌反应22小时，随后加入氯化铵（28.01 g）继续反应6小时。反应完成后，过滤除去未反应的氯化铵。将滤液通过旋转蒸发仪干燥以去除溶剂，所得残余物用甲醇洗涤，得到浅黄色固体粉末。进一步用乙醚洗涤三次，以除去未反应的2-氰基吡啶。最后，使用乙醇-乙醚混合溶剂进行重结晶，得到2-脒基吡啶盐酸盐（化合物2），为白色固体产物。产量：83%。参考文献：[1] Patent: CN105399775, 2016, A. Location in patent: Paragraph 0026-0028[2] Patent: CN103936795, 2016, B. Location in patent: Paragraph 0032-0035[3] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 9, p. 2600 - 2617[4] Patent: WO2011/130908, 2011, A1. Location in patent: Page/Page column 53[5] Patent: WO2011/133444, 2011, A1. Location in patent: Page/Page column 52