苯甲酸胍 | 26739-54-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸胍
• 英文名称: guanidinium benzoate
• 英文别名: carbamimidoylazanium;benzoate
• CAS: 26739-54-8
• 化学式: CH₅N₃*C₇H₆O₂
• 分子量: 181.194
• InChiKey: DNOSZYUZVCJLMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.93
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为产物：
  描述：

  胍 、 苯甲酸 以 水 为溶剂， 生成 苯甲酸胍
  参考文献：
  名称：

  The guanidine and benzoic acid (1:1) complex. The polarized vibrational studies and theoretical investigations

  摘要：

  The structure of guanidinium benzoate was discovered by Silva et al. On the basis of these X-ray crystallographic studies the detailed DFT investigation are performed. According to this result the infrared spectrum for one theoretical molecule was calculated. On the basis of potential energy distribution (PED) analysis the clear-cut assignments of observed bands were performed. For the calculated molecule with energy minimum the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were obtained. The energy difference between HOMO and LUMO was analyzed. According to theoretical calculations the direction of dipole moments (TDM) for bands observed in infrared spectra are analyzed.Verification of theoretical TOM behaviors is performed on the basis of experimental polarized specular reflection infrared spectra. The detailed assignments of observed bands is presented. Both theoretical and experimental spectra are compared. Crucial role of three different hydrogen bonds is studied in detail.Additionally, on the basis of differential scanning calorimetric study no phase transition was found in investigated crystal in the range 100-400 K. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.10.064

文献信息

• Electrolytic solution for Karl Fischer's coulometric titration and method for measuring water content using same
  申请人：Mitsubishi Chemical Corporation

  公开号：EP0484622A2

  公开（公告）日：1992-05-13

  An electrolytic solution for Karl Fischer's coulometric titration comprising a iodide ion, sulfur dioxide, a basic compound and a solvent, and a method for measuring a water content using the same are disclosed. In the electrolytic solution, the basic compound is a mixture comprising an amino alcohol and a compound represented by formula (I): wherein n represents an integer of from 1 to 3, the amino alcohol is present at a molar ratio of not more than 1 to sulfur dioxide, and the amino alcohol and compound represented by formula (I) is present at a total molar ratio of from 1 to 5 to sulfur dioxide. The electrolytic solution is free from a pyridine odor, applicable either as an anolyte or as a catholyte, and capable of considerably reducing time required for water content measurement.

  本发明公开了一种用于卡尔-费休库仑滴定的电解溶液，该溶液由碘离子、二氧化硫、碱性化合物和溶剂组成，并公开了使用该溶液测量水含量的方法。在电解溶液中，碱性化合物是由氨基醇和式（I）代表的化合物组成的混合物： 其中 n 代表 1 至 3 的整数，氨基醇与二氧化硫的摩尔比不超过 1，氨基醇和式 (I) 所代表的化合物与二氧化硫的总摩尔比为 1 至 5。该电解溶液无吡啶气味，既可用作阳离子，也可用作阴离子，并能大大缩短测量含水量所需的时间。
• METHOD FOR PRODUCING BIOCIDAL POLYGUANIDINE, AND BIOCIDAL POLYGUANIDINE
  申请人：Tets, Viktor Veniaminovich

  公开号：EP2520605A1

  公开（公告）日：2012-11-07

  The inventions relate to antiseptic agents and the method for producing thereof and can be used as a broad-spectrum disinfectant in medicine, veterinary medicine, agriculture etc. The method for producing of biocidal polyguanidine that comprises condensation polymerization of hexamethylenediamine with guanine salt additionally uses hydrazine hydrate during the condensation polymerization process, at the following ratio of components, mass %: Biocidal polyguanidine obtained by means of the abovementioned method, with the following formula: or where n - the number of links A in a single unit of the polymer chain, n = 1 - 3; m - the number of links B in a single unit of the polymer chain, m = 2 - 10; z - the number of single units in the polymer chain, z=4-20; Acid - an acid. The inventions allow obtaining a biocidal polyguanidine with high level of broad-spectrum antimicrobial activity.

  本发明涉及杀菌剂及其生产方法，可用作医药、兽医、农业等领域的广谱消毒剂。 杀菌剂聚胍的生产方法包括六亚甲基二胺与胍盐的缩合聚合，在缩合聚合过程中还使用了水合肼，各组分的比例如下（质量百分比）： 1： 通过上述方法获得的杀菌聚胍，其分子式如下： 1： 或 式中 n - 单个聚合物链单元中的链节 A 的数目，n = 1 - 3； m - 单个聚合物链单元中链节 B 的数量，m=2-10； z--聚合物链中单个单元的数目，z=4-20； 酸 - 酸。 本发明可获得具有高水平广谱抗菌活性的杀菌聚胍。
• METHOD FOR PRODUCING BIOCIDAL POLYGUANIDINE AND BIOCIDAL POLYGUANIDINE
  申请人：Tets, Viktor Veniaminovich

  公开号：EP3098253A1

  公开（公告）日：2016-11-30

  The invention relates to a biocidal polyguanidine and their use in antiseptic agents and broad-spectrum disinfectants in medicine, veterinary medicine, agriculture etc. The biocidal polyguanidine have the following formula: wherein: n = 1-3; m=2-10; z = 4-20; and X is absent or an acid.

  本发明涉及一种杀菌聚胍及其在医药、兽医、农业等领域的杀菌剂和广谱消毒剂中的用途。 杀菌聚胍的化学式如下： 其中 n = 1-3; m=2-10; z = 4-20；以及 X 不存在或为酸。
• Broad spectrum antimicrobial agent
  申请人：Tets, Viktor Veniaminovich

  公开号：EP3098253B1

  公开（公告）日：2019-04-24
• METHOD OF DETERMINING AN AMOUNT OF WATER IN A SAMPLE USING A DERIVATIVE OF IMIDAZOLE AND A HYDROGEN HALIDE DONOR
  申请人：Honeywell International Inc.

  公开号：EP3827257A1

  公开（公告）日：2021-06-02