4-甲氧基苯甲脒盐酸盐 (HCID 12326219)

名称与标识

首选名称: 4-Methoxybenzamidine Hydrochloride
IUPAC: 4-methoxybenzenecarboximidamide;hydrochloride
中文名: 4-甲氧基苯甲脒盐酸盐
英文名: 4-Methoxybenzamidine, hydrochloride
分子式: C8H11ClN2O
分子量: 186.64

名称与别名

4-Methoxybenzamidine hydrochlorideRefChem:524718808-172-651721-68-74-METHOXYBENZIMIDAMIDE HYDROCHLORIDEMFCD004661144-METHOXYBENZAMIDINE, HYDROCHLORIDE4-Methoxybenzamidine HCl4-METHOXY-BENZAMIDINE HYDROCHLORIDE4-methoxybenzene-1-carboximidamide hydrochlorideSCHEMBL25706654-methoxybenzenecarboximidamide;hydrochloride

展开更多名称

4-甲氧基苯甲脒4-甲脒基苯甲醚4-甲氧基-苯甲脒4-甲氧基苄脒盐酸盐4-甲氧基苯脒盐酸盐4-甲氧基苯甲脒盐酸盐4-甲氧基苯甲酰亚胺酰胺4-甲氧基苯甲脒盐酸盐 5GAlbb-0069914-MethoxybenzamidineHCl4-ANISAMIDINE HYDROCHLORIDEp-Anisamidine hydrochloride4-METHOXYPHENYLAMIDINEHYDROCHLORIDE4-Methoxybenzamidine Hydrochloride >4-Methoxybenzamidine hydrochloride ,98%

p-methoxy-benzamidine hydrochlorideCS-10314M2612EN300-1158424-Methoxybenzamidine,hydrochloride4-MethoxybenzamidineHydrochCHEMBL2286472p-methoxybenzamidine hydrochloride

数据库标识

CAS: 51721-68-7
PubChem CID: 12326219
DTXSID: DTXSID30489602
ChEMBL: CHEMBL2286472
EC Number: 808-172-6

性质

结构计算性质

极性表面积: 59.1 Å²
氢键供体: 3
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 139

物理化学性质

熔点: 218 · 218-220°C
储存条件: Inert atmosphere,Room Temperature
溶解度: DMSO (Slightly), Water (Slightly)
形态: Solid
颜色: White to Off-White
最大波长(λmax): 261 nm · 261nm(H2O)(lit.)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

安全数据

危险等级: IRRITANT
海关编码: 2916310090
危险品标志: Xn
危险类别码: 22

化学与工业

制备方法 · 1 条

生产方法以4-甲氧基苄腈为原料合成4-甲氧基苯甲脒盐酸盐的一般步骤：将4-甲氧基苄腈（2.1g，15.7mmol）与甲醇钠（86mg，1.57mmol）在20mL无水甲醇中混合，室温下搅拌反应48小时。随后，向反应体系中加入氯化铵（0.84g，15.7mmol），继续搅拌24小时。反应完成后，过滤收集沉淀物，用乙醚洗涤，真空干燥，得到目标产物4-甲氧基苯甲脒盐酸盐（1.3g，收率44.5%）。质谱（ESI）m/z：151.1（[M+H]+）。参考文献：[1] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 783 - 795[2] Journal of the American Chemical Society, 1985, vol. 107, # 9, p. 2743 - 2748[3] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 3, p. 613 - 623[4] Collection of Czechoslovak Chemical Communications, 1981, vol. 46, # 4, p. 933 - 940[5] Patent: US6218538, 2001, B1