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2,4,6-三硝基苯酚铵 | 131-74-8

中文名称
2,4,6-三硝基苯酚铵
中文别名
苦味酸铵;D炸药;2,4,6-三硝基苯酚铵[干的或含水<10%];2,4,6-三硝基苯酚铵[干的或含水<10%];苦味酸铵
英文名称
ammonium picrate
英文别名
dunnite;Ammonium 2,4,6-trinitrophenolate;azane;2,4,6-trinitrophenol
2,4,6-三硝基苯酚铵化学式
CAS
131-74-8
化学式
C6H3N3O7*H3N
mdl
——
分子量
246.136
InChiKey
PADMMUFPGNGRGI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 稳定性/保质期:
    1. 稳定性<sup>[8]</sup>:稳定。 2. 禁配物<sup>[9]</sup>:强氧化剂、强还原剂、强酸、强碱、重金属粉末。 3. 避免接触的条件<sup>[10]</sup>:受热、摩擦、震动、撞击。 4. 聚合危害<sup>[11]</sup>:不聚合。 5. 分解产物<sup>[12]</sup>:氮氧化物、氨。

计算性质

  • 辛醇/水分配系数(LogP):
    0.86
  • 重原子数:
    17
  • 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:
    162
  • 氢给体数:
    1
  • 氢受体数:
    7

ADMET

毒理性
  • 毒性总结
识别和用途:硝酸铵为亮黄色片状或正交晶体。红色形态不是一个明确的多态性,而是黄色盐稍微受污染的形式。它有苦味。它用于炸药、烟花和火箭推进剂。它用于烟火和爆炸混合物。人类暴露和毒性:硝酸铵可以通过皮肤渗透。这种化学物质对皮肤、眼睛和粘膜有中等刺激性。这种化学物质可刺激眼睛和皮肤,并引起过敏。摄入会导致苦味、恶心、腹泻、呕吐、腹痛、皮肤疹、昏迷,甚至可能死亡。吸入高浓度会损害肾脏、肝脏和红细胞。尿液可能变红、减少,甚至停止;可能会有嗜睡、昏迷,甚至死亡。长期暴露:反复暴露会导致皮肤和眼睛变黄、皮肤过敏、肝脏、肾脏和血细胞损伤。最常见的职业健康问题是皮炎,认为是由于敏感化而不是硝酸酯的初次刺激引起的。上呼吸道疾病微不足道,系统性毒性在工人中未被发现。皮肤病变通常出现在上肢暴露部位。暴露最少的人似乎更容易患皮炎,而在暴露最严重的地方工作的人并没有患皮炎。硝酸铵可引起恶心、呕吐、腹泻、皮肤染色、皮炎、皮肤圆形疹、昏迷和癫痫。动物研究:硝酸铵在一系列体外微生物实验中进行了致突变活性的检测,使用沙门氏菌和酿酒酵母作为指示生物。化合物在一系列浓度下进行测试,以证明在高剂量下有一些化学诱导的生理效应的定量或定性证据。致突变性测试的结果都是阴性的。硝酸铵对水生生物有害。
IDENTIFICATION AND USE: Ammonium picrate is found as bright yellow scales or orthorhombic crystals. The red form is not a distinct polymorph, but a slightly contaminated form of the yellow salt. It has a bitter taste. It is used in explosives, in fireworks and rocket propellants. It is used in pyrotechnics and explosive compositions. HUMAN EXPOSURE AND TOXICITY: Ammonium picrate can pass through the skin. This chemical is moderately irritating to skin, eyes, and mucous membranes. This chemical can irritate the eyes, and skin and is an allergen. Ingestion can cause a bitter taste, nausea, diarrhea, vomiting, abdominal pain, skin eruptions, stupor, and possible death. Breathing high levels can damage the kidneys, liver, and red blood cells. Urine may become reddish, scant, or even stop; there may be drowsiness, coma, and even death. Long Term Exposure: Repeated exposure can cause the skin and eyes to turn yellow, skin allergy, liver, kidney, and blood cell damage. The most common occupational health problem was dermatitis, which was thought to be due to sensitization and not primary irritation by the picrate. Upper respiratory disease was negligible and systemic toxicity was not recognized among the workers. The cutaneous lesions appeared usually on the exposed parts of the upper extremities. Persons least exposed seemed more liable to acquire dermatitis, which did not develop in those engaged in operations where there was the heaviest exposure. Ammonium picrate can produce nausea, vomiting, diarrhea, staining of the skin, dermatitis, circular eruptions of the skin, coma, and seizures. ANIMAL STUDIES: Ammonium picrate was examined for mutagenic activity in a series of in vitro microbial assays employing Salmonella typhimurium and Saccharomyces cerevisiae indicator organisms. The compound was tested over a series of concentration such that there was either quantitative or qualitative evidence of some chemically induced physiological effects at the high dose. The results of the mutagenicity tests were all negative. Ammonium nitrate is harmful to aquatic organisms.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 暴露途径
该物质可以通过吸入和摄入被身体吸收。
The substance can be absorbed into the body by inhalation and by ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 吸入症状
燃烧感。咳嗽。见吞咽。
Burning sensation. Cough. See Ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 皮肤症状
红斑。粗糙。
Redness. Roughness.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 眼睛症状
红肿。疼痛。视力模糊。
Redness. Pain. Blurred vision.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
吸收、分配和排泄
它可以通过皮肤吸收...
It can be absorbed through the skin ...
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 储存条件:
    储存注意事项: - 储存在阴凉、干燥、通风的爆炸品专用库房。 - 库温不超过32℃,相对湿度不超过80%。 - 远离火种、热源。 - 与氧化剂、还原剂、酸类、碱类、重金属粉末分开存放,切忌混储。 - 使用防爆型照明和通风设施。 - 禁止使用易产生火花的机械设备和工具。 - 储区应备有合适的材料收容泄漏物。 - 禁止震动、撞击和摩擦。

制备方法与用途

制备方法

用作炸药和药品,用于烟花。

用途简介 用途

用作炸药和药品,用于烟花。[14]

反应信息

  • 作为反应物:
    描述:
    2,4,6-三硝基苯酚铵 、 3,6,9,12,15,29,32,38,41-Nonaoxa-35-azaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene 以 氘代氯仿 为溶剂, 反应 24.0h, 生成
    参考文献:
    名称:
    Two novel 1,3-calix[4]azacrowns
    摘要:
    Two 1,3-calix[4]azacrowns-5 in the 1,3-alternate conformation have been constructed from calix[4]arene. They formed 1:1 endo and 1:2 endo-endo complexes with NH4+ in CDCl3. Comparison with 1,3-calix[4]-bis-crown-5 lead us to conclude a better binding by replacement of the central O atom by NH group in the crown. (C) 2000 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4039(00)00382-8
  • 作为产物:
    参考文献:
    名称:
    新型超分子主体:新型Tröger碱基冠醚复合材料的合成和阳离子结合研究
    摘要:
    据报道,一种简单,直接的合成方法是合成含有特洛格碱基部分的新型超分子宿主。使用Cram的苦味酸提取方法研究了这些大环的阳离子结合特性。
    DOI:
    10.1016/s0040-4020(97)00759-x
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文献信息

  • [EN] PROCESS FOR PREPARATION OF SUNITINIB MALATE AND SALTS THEREOF<br/>[FR] PROCÉDÉ POUR PRÉPARATION DE MALATE DE SUNITINIB ET SELS CORRESPONDANTS
    申请人:IND SWIFT LAB LTD
    公开号:WO2012059941A1
    公开(公告)日:2012-05-10
    A process for preparation of sunitinib malate is provided, which comprises condensing an indole intermediate with formyl amide intermediate. A process for preparation of crystalline form I of sunitinib malate is also provided, which uses methyl isobutyl ketone as solvent.
    提供了一种制备舒尼替尼马来酸的方法,包括将吲哚中间体与甲酰胺中间体进行缩合反应。还提供了一种制备舒尼替尼马来酸晶型I的方法,该方法使用异丁基甲基酮作为溶剂。
  • Synthesis and purification of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)
    申请人:Mitchell R. Alexander
    公开号:US20050038297A1
    公开(公告)日:2005-02-17
    A method to convert surplus nitroarene explosives (picric acid, ammonium picrate,) into TATB is described. The process comprises three major steps: conversion of picric acid/ammonium picrate into picramide; conversion of picramide to TATB through vicarious nucleophilic substitution (VNS) of hydrogen chemistry; and purification of TATB.
    描述了一种将过剩的硝基芳烃炸药(苦味酸、苦味酸铵)转化为TATB的方法。该过程包括三个主要步骤:将苦味酸/苦味酸铵转化为苦味酰胺;通过偏位亲核取代(VNS)氢化学将苦味酰胺转化为TATB;以及TATB的纯化。
  • Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB)
    申请人:Mitchell R. Alexander
    公开号:US20050070743A1
    公开(公告)日:2005-03-31
    A method to convert surplus nitroarene explosives into trinitrophloroglucinol and triaminotrinitrobenzene (TATB) is described. Picric acid is directly aminated to diaminopicric acid, which is converted to trinitrophloroglucinol and triaminotrinitrobenzene.
    一种将过剩的硝基芳烃炸药转化为三硝基邻苯三酚和三氨基三硝基苯(TATB)的方法被描述。苦味酸被直接氨化成二氨基苦味酸,然后转化成三硝基邻苯三酚和三氨基三硝基苯。
  • FACILE SYNTHESIS OF 3-AMINOPICRIC ACID
    申请人:FRONABARGER John W.
    公开号:US20110105800A1
    公开(公告)日:2011-05-05
    Embodiments of methods for preparing 3-aminopicric acid from picric acid is described. In one embodiment, the method comprises combining lithium hydroxide, picric acid, and a first solvent to form a first solution, combining lithium hydroxide, hydroxylamine hydrochloride, and a second solvent to form a second solution, combining the first solution with the second solution to form a mixture, and cooling the mixture.
    本文描述了从硝基苯酚制备3-氨基苦味酸的方法实施例。在其中一种实施例中,该方法包括将氢氧化锂、硝基苯酚和第一溶剂组合形成第一溶液,将氢氧化锂、盐酸羟胺和第二溶剂组合形成第二溶液,将第一溶液与第二溶液组合形成混合物,并冷却混合物。
  • Synthesis of 1,2,4-butanetriol enantiomers from carbohydrates
    申请人:Frost W. John
    公开号:US20060234363A1
    公开(公告)日:2006-10-19
    A bioengineered synthesis scheme for the production of L-1,2,4-butanetriol, D-1,2,4-butanetriol and racemic mixtures thereof from a carbon source is provided. Methods of producing L-1,2,4-butanetriol, D-1,2,4-butanetriol and racemic mixtures thereof are also provided. Methods are also provided for converting D-1,2,4-butanetriol and L-1,2,4,-butanetriol to D,L-1,2,4-butanetriol trinitrate.
    提供了一种生物工程合成方案,用于从碳源生产L-1,2,4-丁三醇、D-1,2,4-丁三醇和它们的混合物。还提供了生产L-1,2,4-丁三醇、D-1,2,4-丁三醇和它们的混合物的方法。还提供了将D-1,2,4-丁三醇和L-1,2,4-丁三醇转化为D,L-1,2,4-丁三醇硝酸酯的方法。
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