亚硝酸盐 | 14797-65-0

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 非金属氧阴离子化合物
• 中文名称: 亚硝酸盐
• 中文别名: 亚硝酸盐(产气)
• 英文名称: Nitrite Ion
• 英文别名: nitrite
• CAS: 14797-65-0
• 化学式: NO2-
• 分子量: 46.006
• InChiKey: IOVCWXUNBOPUCH-UHFFFAOYSA-M

物化性质

• 物理描述：
  Nitrites, inorganic, n.o.s. appears as colorless solutions or crystalline solids. Denser than water. Contact may cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.5
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

摄入一定量的硝酸盐和亚硝酸盐是人类氮循环的正常部分。在适当条件下，硝酸盐可以在胃肠道内转化为亚硝酸盐，显著增加硝酸盐的毒性。硝酸盐的主要代谢途径是转化为亚硝酸盐，然后转化为氨。亚硝酸盐、硝酸盐及其代谢物通过尿液排出体外。

Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

亚硝酸盐导致氧合血红蛋白自动催化氧化成过氧化氢和高铁血红蛋白。这种高铁血红蛋白水平的升高被称为高铁血红蛋白血症，其特点是组织缺氧，因为高铁血红蛋白不能结合氧气。

Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

摄入硝酸盐或亚硝酸盐，在导致内源性亚硝化的条件下，对人类可能是致癌的（2A组）。

Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

亚硝酸盐中毒导致高铁血红蛋白血症。亚硝酸盐可能导致怀孕并发症和发育影响。它们也可能致癌。

Nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L1137）；吸入（L1137）

Oral (L1137) ; inhalation (L1137)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

亚硝酸盐中毒导致高铁血红蛋白血症。症状包括发绀、心脏节律失常和循环衰竭，以及逐渐加重的中枢神经系统（CNS）影响。中枢神经系统的影响可能从轻微的头晕和嗜睡到昏迷和抽搐不等。

Nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (L1137)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  亚硝酸盐 生成 氧化亚氮
  参考文献：
  名称：

  GUNDEL, L. A.;GUYOT-SIONNEST, N. S.;NOVAKOV, T., AEROSOL SCI. AND TECHNOL., 10,(1989) N, C. 343-351

  摘要：

  DOI：
• 作为产物：
  描述：

  硝酸 生成 亚硝酸盐
  参考文献：
  名称：

  FUKASAWA, T.;OZAWA, Y.;KAWAMURA, F., AMER. INST. CHEM. ENG. SUMMER NAT. MEET., DENVER, COLO, AUG. 21-24, 1988,+

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-氨基-6-硝基苯并噻唑 、 盐酸 、 sodium nitrite 在 亚硝酸盐 、 尿素 作用下， 以 水 为溶剂， 20.0~150.0 ℃ 、53.33 MPa 条件下， 反应 11.0h， 以27.3 g of 6-nitrobenzothiazol-2-one with a pure substance content of 97.8% are obtained (corresponding to 92.4% yield)的产率得到6-硝基-2-苯并噻唑啉酮
  参考文献：
  名称：

  Process for the preparation of 2(3H)-benzothiazolones

  摘要：

  制备2(3H)-苯并噻唑酮的过程，可以通过将一种选择性取代苯环的2-氨基苯并噻唑与重氮化试剂在水盐酸存在下反应，如有必要加入氯化物，以得到重氮化氯化物，直接将重氮化氯化物反应，得到一种选择性取代苯环的2-氯苯并噻唑，然后在120℃-200℃的反应压力下，不经过中间分离，水解2-氯苯并噻唑。

  公开号：

  US05594145A1

文献信息

• Establishing the Kinetic Competency of the Cationic Imine Intermediate in Nitroalkane Oxidase
  作者：Michael P. Valley、Shane E. Tichy、Paul F. Fitzpatrick

  DOI：10.1021/ja043542f

  日期：2005.2.1

  effect of 7.9. These results are consistent with cyanide reacting with a species formed after proton abstraction but before flavin oxidation. The proposed mechanism for nitroalkane oxidase involves removal of a proton from the nitroalkane, forming a carbanion which adds to the flavin N(5). Elimination of nitrite from the resulting adduct would form an electrophilic imine which can be attacked by hydroxide

  黄素蛋白硝基烷氧化酶催化中性硝基烷氧化成相应的醛和酮。氰化物在转换过程中以浓度依赖性方式使酶失活。在硝基乙烷或硝基己烷的存在下，来自被氰化物灭活的酶的黄素的质谱分析表明已形成黄素氰乙基或氰己基中间体。在高浓度氰化物下，灭活不会消耗氧气。快速反应研究表明，与 2-(2H2)-硝基乙烷形成的加合物显示出 7.9 的动力学同位素效应。这些结果与氰化物与质子提取之后但黄素氧化之前形成的物质反应一致。硝基烷氧化酶的拟议机制包括从硝基烷中去除一个质子，形成添加到黄素 N(5) 的碳负离子。从所得加合物中消除亚硝酸盐会形成亲电亚胺，该亚胺可被氢氧化物攻击。目前的结果与氰化物捕获这种亲电子中间体一致。
• Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US20040192735A1

  公开（公告）日：2004-09-30

  Indazole compounds that modulate and/or inhibit the ophthalmic diseases and the activity of certain protein kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating tyrosine kinase signal transduction and thereby modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating ophthalmic diseases and cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  本文描述了调节和/或抑制眼科疾病和某些蛋白激酶活性的吲唑化合物。这些化合物和含有它们的药物组合物能够介导酪氨酸激酶信号传导，从而调节和/或抑制不必要的细胞增殖。本发明还涉及含有这些化合物的药物组合物的治疗或预防用途，以及通过给予这些化合物的有效量来治疗眼科疾病和与不必要的血管生成和/或细胞增殖相关的癌症和其他疾病状态，如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和银屑病。
• Process for preparing 5-cyano-4, 5-dihydro-3,4-dicarboxypyrazole
  申请人：Eli Lilly and Company

  公开号：US04924001A1

  公开（公告）日：1990-05-08

  The present invention provides 5-cyano-4,5-dihydro-3,4-dicarboxypyrazoles and a process for preparing such compounds which comprises reacting a dialkyl fumarate with diazoacetonitrile.

  本发明提供了5-氰基-4,5-二氢-3,4-二羧基吡唑和制备这些化合物的方法，包括将二烷基富马酸与重氮乙腈反应。
• Benzotriazoles, and their production and use
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04668278A1

  公开（公告）日：1987-05-26

  A compound of the formula: ##STR1## wherein R is a hydrogen atom, a C.sub.1 -C.sub.4 alkoxy group, a C.sub.1 -C.sub.4 alkenyloxy group, a C.sub.3 -C.sub.4 alkynyloxy group, a C.sub.1 -C.sub.4 alkylthio group, a dichlorocyclopropylmethoxy group or a methyldichlorocyclopropylmethoxy group, X is a chlorine atom or a bromine atom and Y is a hydrogen atom, a fluorine atom or a chlorine atom, which is useful as a herbicide.

  一种化合物的化学式：##STR1## 其中R为氢原子，C.sub.1-C.sub.4烷氧基，C.sub.1-C.sub.4烯氧基，C.sub.3-C.sub.4炔氧基，C.sub.1-C.sub.4烷硫基，二氯环丙基甲氧基或甲基二氯环丙基甲氧基，X为氯原子或溴原子，Y为氢原子，氟原子或氯原子，该化合物可用作除草剂。
• Fused imidazole derivative
  申请人：——

  公开号：US20040198791A1

  公开（公告）日：2004-10-07

  According to the present invention, fused imidazole derivatives of the general formula: 1 wherein R 1 is a hydrogen atom, a halogen atom, hydroxy group, a lower alkyl group or a lower alkoxy group, R 2 is an aryl group, benzodioxanyl group, or 5-6 membered, monocyclic, unsaturated, heterocyclic group containing nitrogen atom(s) which may be substituted with lower alkyl, trityl or oxo, R 3 is a hydrogen atom or hydroxy group, A is a group represented by the formula: —(CH 2 ) m — or —O—(CH 2 ) m — [wherein m is an integer of 1-3] and their salts are provided.

  根据本发明，提供了一般式为：1的熔融咪唑衍生物，其中R1为氢原子、卤素原子、羟基、低碳基或低氧基；R2为芳基、苯二氧基基团或含有氮原子的5-6成员单环不饱和杂环基团，可被低碳基、三苯基或氧代取代；R3为氢原子或羟基；A为以下式子所代表的基团：—(CH2)m—或—O—(CH2)m—[其中，m为1-3的整数]及其盐。