摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

羰基镍 | 13463-39-3

中文名称
羰基镍
中文别名
四羰基镍;四碳合镍;四羰化鎳099-01[6,3];四羰化鎳
英文名称
Nickel tetracarbonyl
英文别名
carbon monoxide;nickel
羰基镍化学式
CAS
13463-39-3
化学式
C4NiO4
mdl
——
分子量
170.732
InChiKey
AWDHUGLHGCVIEG-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

计算性质

  • 辛醇/水分配系数(LogP):
    -0.15
  • 重原子数:
    9
  • 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:
    4
  • 氢给体数:
    0
  • 氢受体数:
    4

ADMET

代谢
镍主要通过肺和胃肠吸收。一旦进入人体,它就会进入血液,在那里与白蛋白、L-组氨酸和_2-巨球蛋白结合。镍倾向于积累在肺、甲状腺、肾脏、心脏和肝脏中。吸收的镍通过尿液排出,而未被吸收的镍则通过粪便排出。(L41)
Nickel is absorbed mainly through the lungs and gastrointestinal tract. Once in the body it enters the bloodstream, where it binds to albumin, L-histidine, and _2-macroglobulin. Nickel tends to accumulate in the lungs, thyroid, kidney, heart, and liver. Absorbed nickel is excreted in the urine, wherease unabsorbed nickel is excreted in the faeces. (L41)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
镍已知可以在某些酶中替代其他必需元素,如钙调神经蛋白。它具有基因毒性,一些镍化合物已被证明可以促进细胞增殖。镍对染色质蛋白具有高亲和力,尤其是组蛋白和精蛋白。镍离子与异染色质的结合会导致包括浓缩、DNA过度甲基化、基因沉默以及组蛋白乙酰化抑制等一系列变化,这些都已被证明会干扰基因表达。镍还被证明可以改变包括低氧诱导转录因子、激活转录因子和NF-KB转录因子在内的几个转录因子。还有证据表明,镍离子可以抑制DNA修复,要么直接抑制DNA修复酶,要么与锌离子竞争结合锌指DNA结合蛋白,导致DNA结构变化,阻止修复酶的结合。镍离子还可以与多种细胞配体复合,包括氨基酸、肽和蛋白质,从而产生氧自由基,诱导碱基损伤、DNA链断裂和DNA蛋白质交联。(L41, A40)
Nickel is known to substitute for other essential elements in certain enzmes, such as calcineurin. It is genotoxic, and some nickel compounds have been shown to promote cell proliferation. Nickel has a high affinity for chromatin proteins, particularly histones and protamines. The complexing of nickel ions with heterochromatin results in a number of alterations including condensation, DNA hypermethylation, gene silencing, and inhibition of histone acetylation, which have been shown to disturb gene expression. Nickel has also been shown to alter several transcription factors, including hypoxia-inducible transcription factor, activating transcription factor, and NF-KB transcription factor. There is also evidence that nickel ions inhibit DNA repair, either by directly inhibiting DNA repair enzymes or competing with zinc ions for binding to zinc-finger DNA binding proteins, resulting in structural changes in DNA that prevent repair enzymes from binding. Nickel ions can also complex with a number of cellular ligands including amino acids, peptides, and proteins resulting in the generation of oxygen radicals, which induce base damage, DNA strand breaks, and DNA protein crosslinks. (L41, A40)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌物分类
1, 对人类致癌。
1, carcinogenic to humans. (L135)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
镍对人类最常见的有害健康影响是过敏反应。这通常表现为皮疹,尽管有些人会经历哮喘发作。长期吸入镍会导致慢性支气管炎和肺功能下降,以及损害鼻咽腔。过量摄入镍会损害胃、血液、肝脏、肾脏和免疫系统,并对生殖和发育产生不利影响。
The most common harmful health effect of nickel in humans is an allergic reaction. This usually manifests as a skin rash, although some people experience asthma attacks. Long term inhahation of nickel causes chronic bronchitis and reduced lung function, as well as damage to the naval cavity. Ingestion of excess nickel results in damage to the stomach, blood, liver, kidneys, and immune system, as well as having adverse effects on reproduction and development. (L41)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
吸入 (L41) ; 口服 (L41) ; 经皮 (L41)
Inhalation (L41) ; oral (L41) ; dermal (L41)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 症状
镍中毒的症状包括头痛、恶心、呕吐、眩晕、易怒和睡眠困难,随后可能出现胸痛、出汗、心跳加速和干咳。镍四羰基中毒的特点是病情分为两个阶段。第一阶段包括持续几小时的头痛和胸痛,通常之后会有短暂的缓解。第二阶段是在典型16小时后开始的化学性肺炎,症状包括咳嗽、呼吸困难和极度疲劳。这些症状在四天内达到最严重的程度,可能导致心肺或肾衰竭死亡。恢复期往往非常漫长,常伴有疲惫、抑郁和劳力性呼吸困难等并发症。
Symptoms of nickel poisoning include headache, nausea, vomiting, dizziness, irritability, and difficulty sleeping, followed by chest pains, sweating, rapid heart beat, and a dry cough. Nickel tetracarbonyl poisoning is characterized by a two-stage illness. The first consists of headaches and chest pain lasting a few hours, usually followed by a short remission. The second phase is a chemical pneumonitis which starts after typically 16 hours with symptoms of cough, breathlessness and extreme fatigue. These reach greatest severity after four days, possibly resulting in death from cardiorespiratory or renal failure. Convalescence is often extremely protracted, often complicated by exhaustion, depression and dyspnea on exertion. (L42, L508)
来源:Toxin and Toxin Target Database (T3DB)

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    DEMENTEV, A. A.;IONIN, A. A.;GAMMAL, V. S.;ROGALEV, V. A.;FUTKIN, K. K.;G+
    摘要:
    DOI:
  • 作为产物:
    描述:
    bis(η4-2,3-dimethyl-1,3-butadiene)nickel 、 一氧化碳 生成 羰基镍
    参考文献:
    名称:
    JOLLY P. W.; MYNOTT R.; SALZ R., J. ORGANOMETAL. CHEM., 1980, 184, NO 3, C49-C52
    摘要:
    DOI:
点击查看最新优质反应信息

文献信息

  • Process for producing nickel carbonyl, nickel powder and use thereof
    申请人:——
    公开号:US20040109810A1
    公开(公告)日:2004-06-10
    A process for producing Ni(CO) 4 from carbon monoxide and a source of nickel selected from the group consisting of elemental nickel, a nickel compound or mixtures thereof, provided the nickel compound is not nickel chloride per se or in admixture with a nickel carbonate ore, in an amount greater than 50% W/W nickel chloride; which process comprises (a) treating the nickel source with hydrogen at a pressure of at least atmospheric pressure and an effective temperature, in the presence of chloride anion or an in situ generator thereof precursor, to produce a resultant nickel; (b) reacting the carbon monoxide with the resultant nickel to produce the Ni(CO) 4 ; and collecting the Ni(CO) 4 . The process offers the production of Ni(CO) 4 at atmospheric pressure and at a sufficiently high rate for direct use in subsequent deposition processes without the need for storage facilities.
    一种从一氧化碳和镍源中生产Ni(CO)4的过程,所述镍源选自元素镍、镍化合物或其混合物,前提是所述镍化合物不是氯化镍本身或与镍碳酸盐矿物混合物中的氯化镍质量百分含量大于50%; 该过程包括(a)在氯离子或其原位生成物的存在下,在至少大气压力和有效温度下处理镍源以产生所需的镍; (b)将一氧化碳与所得到的镍反应,以产生Ni(CO)4; 并收集Ni(CO)4。该过程可在大气压力下以足够高的速率生产Ni(CO)4,可直接用于后续沉积过程,无需储存设施。
  • Production of active nickel powder and transformation thereof into nickel carbonyl
    申请人:Collins Michael
    公开号:US20070034053A1
    公开(公告)日:2007-02-15
    Active nickel powder is produced by reducing a feed material, containing one or more reducible nickel salts, such that when nickel chloride is present, the weight ratio of chloride to total nickel is greater than 0.1 and the reducible nickel salts have a surface area in excess of 1 m 2 /g, with a reducing gas containing preferably at least 20 volume per cent hydrogen, at a temperature preferably between 300° C. and 600° C., and when nickel chloride is not present, by adding hydrogen chloride directly to the reducing gas. The resulting active nickel powder can be rapidly converted into nickel carbonyl by reaction with a gas containing carbon monoxide preferably at atmospheric or super-atmospheric pressure, in the absence of conventional carbonylation catalysts.
    活性镍粉是通过还原含有一种或多种可还原镍盐的原料制备而成的,当存在氯化镍时,氯化物与总镍的重量比大于0.1,并且可还原镍盐的表面积超过1 m2/g,使用含有至少20体积%氢气的还原气体,在温度为300℃至600℃之间进行还原。当不存在氯化镍时,直接向还原气体中添加氢氯酸。在没有传统的羰基化催化剂的情况下,通过与含有一氧化碳的气体反应,可以将产生的活性镍粉迅速转化为羰基镍,最好在大气压或超大气压下进行。
  • PROCESS FOR THE PRODUCTION OF METHANE
    申请人:Clomburg, JR. Lloyd Anthony
    公开号:US20120178833A1
    公开(公告)日:2012-07-12
    A process for the production of methane comprising reacting at least part of a feed gas containing carbon monoxide and hydrogen in an internally cooled methanation reactor containing a nickel comprising methanation catalyst to produce a product gas containing methane, cooling the internally cooled methanation reactor with water, wherein the water enters the internally cooled methanation reactor at a temperature in the range from 20-120° C. below its boiling temperature.
    一种生产甲烷的过程,包括在含有一氧化碳和氢的进料气体中至少部分反应,在内冷式甲烷化反应器中含有镍甲烷化催化剂,以产生含有甲烷的产品气体,用水冷却内部冷却的甲烷化反应器,其中水以比其沸点低20-120°C的温度进入内部冷却的甲烷化反应器。
  • Process for the production of methane
    申请人:Clomburg, Jr. Lloyd Anthony
    公开号:US08927610B2
    公开(公告)日:2015-01-06
    A process for the production of methane comprising reacting at least part of a feed gas containing carbon monoxide and hydrogen in an internally cooled methanation reactor containing a nickel comprising methanation catalyst to produce a product gas containing methane, cooling the internally cooled methanation reactor with water, wherein the water enters the internally cooled methanation reactor at a temperature in the range from 20-120° C. below its boiling temperature.
    一种甲烷生产工艺,包括在含有一氧化碳和氢的进料气体中至少部分反应,在含有镍甲烷化催化剂的内部冷却甲烷化反应器中产生含有甲烷的产物气体,用水冷却内部冷却的甲烷化反应器,其中水以比其沸点低20-120℃的温度进入内部冷却的甲烷化反应器。
  • Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.1, 1.1.6.2, page 97 - 116
    作者:
    DOI:——
    日期:——
查看更多

表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
查看更多图谱数据,请前往“摩熵化学”平台
mass
查看更多图谱数据,请前往“摩熵化学”平台
查看更多图谱数据,请前往“摩熵化学”平台
查看更多图谱数据,请前往“摩熵化学”平台
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
查看更多图谱数据,请前往“摩熵化学”平台
Assign
Shift(ppm)
查看更多图谱数据,请前往“摩熵化学”平台
测试频率
样品用量
溶剂
溶剂用量
查看更多图谱数据,请前往“摩熵化学”平台