4-甲脒基氯化吡啶 (HCID 2776844)

名称与标识

首选名称: Pyridine-4-amidine hydrochloride
IUPAC: pyridine-4-carboximidamide;hydrochloride
中文名: 4-甲脒基氯化吡啶
英文名: 4-Amidinopyridinium chloride
分子式: C6H8ClN3
分子量: 157.6

名称与别名

42518-06-9RefChem:870749Pyridine-4-amidine hydrochloride692-231-4Isonicotinimidamide hydrochloride6345-27-3Pyridine-4-carboximidamide Hydrochloride4-Amidinopyridine hydrochloride4-AMIDINOPYRIDINIUM CHLORIDEIsonicotinamidine hydrochlorideMFCD00040385pyridine-4-carboxamidine hydrochloride

展开更多名称

4-甲脒吡啶氯4-脒基吡啶盐酸盐4-甲脒基氯化吡啶4-氨基吡啶氯化物4-脒基吡啶X盐酸盐吡啶-4-甲脒X盐酸盐吡啶-4-甲脒盐酸盐 1G4-甲脒基氯化吡啶4-PYRIDINECARBOXIMIDAMIDE,HYDROCHLORIDE (1:?)BUTTPARK 32\03-564-methylamidinopyridine chloride4-AMIDINOPYRIDINIUM HYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDE HYDRATE HCL4-PYRIDINECARBOXIMIDAMIDE, HYDROCHLORIDE

4-pyridinecarboximidamide hydrochloride4-AMIDINOPYRIDINE HYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDE HYDROCHLORIDEpyridine-4-carboximidamide;hydrochlorideIsonicotinimidamide xhydrochloride4-Pyridinecarboximidamide, monohydrochlorideIsonicotinimidamide hydrochloride(1:x)SCHEMBL444468pyridine-4-carboximidamide HCl

数据库标识

CAS: 42518-06-9、6345-27-3
PubChem CID: 2776844
EC Number: 692-231-4

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: 105

物理化学性质

熔点: 263 °C · 263 °C
储存条件: Inert atmosphere,Room Temperature
外观: White to off-white Solid
InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
InChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-N
SMILES: C(C1=CC=NC=C1)(N)=N.Cl

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全数据

危险等级: IRRITANT
安全说明: 26-37/39
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4-氰基吡啶为原料合成4-甲脒基吡啶盐酸盐的一般步骤如下：将4-氰基吡啶（20.0 g，0.2 mol）溶解于无水甲醇（200 mL）中，随后一次性加入粉末状甲醇钠（1.1 g，20 mmol）。将反应混合物于室温下搅拌过夜。接着，加入氯化铵（16.5 g，0.31 mol），并将反应混合物加热回流4小时，之后冷却至室温。蒸发去除溶剂后，加入无水乙醇（300 mL）。将混合物加热至回流状态，维持15分钟后，过滤除去固体。将滤液冷却至室温并静置过夜。再次过滤以去除无机盐，随后将反应混合物浓缩至约原体积的三分之一，最终过滤得到24.0 g（产率76%）的4-甲脒基吡啶盐酸盐。参考文献：[1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 15, p. 3487 - 3490[2] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 11, p. 3347 - 3356[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 12, p. 2990 - 2993[4] Journal of Medicinal Chemistry, 1990, vol. 33, # 4, p. 1230 - 1241[5] Patent: US5294612, 1994, A