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nickel(II) acetate | 20998-57-6

中文名称
——
中文别名
——
英文名称
nickel(II) acetate
英文别名
nickel acetate;nickel(2+);diacetate
nickel(II) acetate化学式
CAS
20998-57-6
化学式
C4H6NiO4
mdl
——
分子量
176.779
InChiKey
AIYYMMQIMJOTBM-UHFFFAOYSA-L
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

  • 物理描述:
    Dull green odorless solid. Sinks and mixes slowly with water. (USCG, 1999)
  • 颜色/状态:
    GREEN PRISMS
  • 沸点:
    16.6 °C
  • 溶解度:
    12.5 mol % in acetic acid @ 30 °C
  • 密度:
    1.74 at 68 °F (USCG, 1999)
  • 分解:
    Toxic gases and vapors (such as nickel carbonyl) may be released ... in the decomp of nickel cmpd. /Nickel & sol nickel cmpd/

计算性质

  • 辛醇/水分配系数(LogP):
    -2.49
  • 重原子数:
    9
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    80.3
  • 氢给体数:
    0
  • 氢受体数:
    4

ADMET

代谢
镍主要通过肺和胃肠吸收。一旦进入体内,它会进入血液,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,如钙调神经磷酸酶。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,特别是组蛋白和精蛋白具有高亲和力。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的抑制等一系列变化,这些变化已被证明会干扰基因表达。镍还被证明可以改变几个转录因子,包括低氧诱导转录因子、激活转录因子和NF-KB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。镍离子还可以与许多细胞配体结合,包括氨基酸、肽和蛋白质,从而导致氧自由基的产生,诱导碱基损伤、DNA链断裂和DNA蛋白交联。(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
  • 致癌性证据
A4:无法归类为人类致癌物。/镍,可溶性无机化合物(NOS),作为镍/
A4: Not classifiable as a human carcinogen. /Nickel, soluble inorganic compounds (NOS), as Ni/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
评估:有足够的人类证据表明硫酸镍具有致癌性,以及镍精炼工业中遇到的镍硫化物和氧化物的组合也具有致癌性。关于金属镍和镍合金的人类致癌性证据不足。在实验动物中,有足够的证据表明金属镍、氧化镍、氢氧化镍和结晶镍硫化物具有致癌性。在实验动物中,对于镍合金、镍茂、镍羰基、镍盐、镍砷化物、镍锑化物、镍硒化物和镍碲化物具有有限的致癌性证据。在实验动物中,对于三氧化二镍、非晶镍硫化物和镍钛酸盐的致癌性证据不足。工作组根据流行病学研究、实验动物致癌性研究以及几种其他相关数据的结果,结合镍化合物在其靶细胞的关键位点可以生成镍离子的基本概念,对镍化合物这一组进行了整体评估。总体评估:镍化合物对人类具有致癌性(第1组)。金属镍可能对人类具有致癌性(第2B组)。/镍化合物/
Evaluation: There is sufficient evidence in humans for the carcinogenicity of nickel sulfate, and of the combinations of nickel sulfides and oxides encountered in the nickel refining industry. There is inadequate evidence in humans for the carcinogenicity of metallic nickel and nickel alloys. There is sufficient evidence in experimental animals for the carcinogenicity of metallic nickel, nickel monoxides, nickel hydroxides and crystalline nickel sulfides. There is limited evidence in experimental animals for the carcinogenicity of nickel alloys, nickelocene, nickel carbonyl, nickel salts, nickel arsenides, nickel antimonide, nickel selenides and nickel telluride. There is inadequate evidence in experimental animals for the carcinogenicity of nickel trioxide, amorphous nickel sulfide and nickel titanate. The Working Group made the overall evaluation on nickel compounds as a group on the basis of the combined results of epidemiological studies, carcinogenicity studies in experimental animals, and several types of other relevant data, supported by the underlying concept that nickel compounds can generate nickel ions at critical sites in their target cells. Overall evaluation: Nickel compounds are carcinogenic to humans (Group 1). Metallic nickel is possibly carcinogenic to humans (Group 2B). /Nickel compounds/
来源:Hazardous Substances Data Bank (HSDB)
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)

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    SOWMAN, H. G.;TRAN, T. T.
    摘要:
    DOI:
  • 作为产物:
    描述:
    [Ni(OAc)2(H2O)4] 、 kanamycin 以 二甲基亚砜 为溶剂, 反应 0.5h, 生成 nickel(II) acetate
    参考文献:
    名称:
    Process of selectively blocking amino functions in aminoglycosides using
    摘要:
    对于至少具有一对可用相邻羟基和氨基团的多氨基有机化合物中的一些氨基团进行选择性阻断,首先在该多氨基有机化合物中原位制备可用的相邻氨基和羟基团对的过渡金属盐配合物,然后在未配合的氨基团上引入阻断基,最后从选择性N-阻断的多氨基有机化合物配合物中去除过渡金属阳离子,以获得具有选择性阻断氨基团的多氨基有机化合物。当利用乙酸铜、乙酸镍(II)、乙酸钴(II)或其混合物的过渡金属盐配合物进行氨基环糖苷-氨基糖苷转化时,该过程特别有价值。
    公开号:
    US04136254A1
  • 作为试剂:
    描述:
    双酚A乙酸酐二苯醚间苯二甲酸对苯二甲酸nickel(II) acetateNickel perchlorate乙酸酐 作用下, 以 溶剂黄146 为溶剂, 反应 1.0h, 生成 Bisphenol-a diacetate
    参考文献:
    名称:
    Acid interchange polymerization process for producing an aromatic
    摘要:
    提供了一种改进的酸交换聚合过程,用于形成芳香族聚酯。在催化剂的催化作用下,酯和羧酸官能团被反应,该催化剂由强无机酸的过渡金属盐和含有约4个碳原子的脂肪族羧酸的过渡金属盐混合而成。在该过程的首选实施方式中,反应物至少包括一种芳香族二酯和至少一种芳香族二羧酸。或者,酸交换反应所需的酯和羧酸官能团可以在同一分子上提供。芳香环上可能存在不干扰酸交换反应的卤素或其他取代基。
    公开号:
    US03948856A1
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文献信息

  • Synthesis, complexation, and X-ray structure of a new type of binucleating macrocycle incorporating both soft and hard ligating sites
    作者:Catherina J. van Staveren、David N. Reinhoudt、Johan van Eerden、Sybolt Harkema
    DOI:10.1039/c39870000974
    日期:——
    A macrocyclic ligand with both a Schiff base moiety and a polyether cavity forms mono- and bi-nuclear complexes; X-ray analysis of the mononuclear Ba(ClO4)2 complex shows that Ba2+ is co-ordinated in the polyether cavity.
    具有席夫碱部分和聚醚腔的大环配体形成单核和双核配合物。对单核Ba(ClO 4)2配合物的X射线分析表明,Ba 2+在聚醚腔中是配位的。
  • Toner, charge-imparting material and composition containing metal complex
    申请人:Canon Kabushiki Kaisha
    公开号:US04673631A1
    公开(公告)日:1987-06-16
    A triboelectrically chargeable composition for use in development of electrostatic latent images. The composition contains a metal complex of an amino acid compound having an amino or mono-substituted amino group and a carboxylic group. The composition is embodied typically as a positively chargeable toner and also as a charge-imparting material for charging a toner.
    一种用于发展静电潜影像的摩擦电荷化合物。该化合物包含一种氨基酸化合物的金属配合物,该氨基酸化合物具有氨基或单取代氨基和羧基。该组合物通常作为带正电荷的调色剂,同时也作为给调色剂充电的带电材料。
  • Production and use of imines of porphyrins, of porphyrin derivatives and
    申请人:The University of Toledo
    公开号:US05424305A1
    公开(公告)日:1995-06-13
    Purified imines of porphyrins, chlorins, bateriochlorins, chlorophylls, bacteriochlorophylls, purpurins, reduced purpurins, verdins, Diels Alder adducts, benzochlorins and metal complexes of the foregoing imines are disclosed for retarding growth of cancer tumors such as bladder tumors. The formulas of the benzochlorinimines and of the benzochlorinimine metal complexes are set forth below: ##STR1## In specific examples, M in the metal complexes is a copper cation that is complexed with two of the nitrogens of the benzochlorinimine R' and R"" are methyl, and R1 through R8 are ethyl.
    本文公开了经过纯化的卟啉、叶绿素、细菌叶绿素、叶绿素、细菌叶绿素、紫质、还原紫质、绿原素、Diels Alder加合物、苯并叶绿素和上述亚胺的金属配合物,用于延缓癌症肿瘤如膀胱肿瘤的生长。苯并叶绿素亚胺和苯并叶绿素亚胺金属配合物的结构式如下:##STR1## 在具体的示例中,金属配合物中的M是与苯并叶绿素亚胺的两个氮原子配位的铜阳离子,R'和R""是甲基,R1到R8是乙基。
  • Metal complexes with a high coordination number
    申请人:Rutgerswerke Aktiengesellschaft AG
    公开号:US05444030A1
    公开(公告)日:1995-08-22
    A process for the preparation of complex salts with additional coordinated ligands comprising reacting with through mixing at 20.degree. to 200.degree. C. a complex-forming metal salt of a metal of the second and third main groups of the Periodic Table and the subgroups thereof with a stoichiometric amount of at least one member of the group consisting of a chelating ligand and a Lewis base in the absence of a solvent according to the equation: M.sub.m.sup.a+ (SR.sup.b-)n+xL.multidot.cH+yB.sup.- .fwdarw.m[M.sup.a+ (SR.sup.b-)(n-o)L.sub.x B.sub.y ]+o.multidot.SR.sup.b- +c.multidot.H.sup.+I wherein M is a metal ion, SR is an acid radical of an organic or inorganic acid, B is a Lewis base, and L is a chelating ligand, m.multidot.a=b.multidot.(n-o)+c.multidot.x, wherein a=an integer of 1-8, b=an integer of 1-3, c=an integer of 0-4, m=an integer of 1-3, n=an integer of 1-8, o=an integer of 0-8, x=an integer of 0-4, y=and integer of 1-16, wherein (n-o)+x+y.ltoreq.16 and the complex salts formed thereby useful as latent curing catalysts.
    一种制备含有额外配位配体的复杂盐的方法,包括在20℃至200℃下通过混合反应,将第二和第三主族和其亚族的金属的复合形成金属盐与螯合配体和路易斯碱中的至少一种成员的化学计量量在无溶剂的情况下反应,反应方程式如下:M.sub.m.sup.a+ (SR.sup.b-)n+xL.multidot.cH+yB.sup.- .fwdarw.m[M.sup.a+ (SR.sup.b-)(n-o)L.sub.x B.sub.y ]+o.multidot.SR.sup.b- +c.multidot.H.sup.+I,其中M是金属离子,SR是有机或无机酸的酸根,B是路易斯碱,L是螯合配体,m.multidot.a=b.multidot.(n-o)+c.multidot.x,其中a为1-8的整数,b为1-3的整数,c为0-4的整数,m为1-3的整数,n为1-8的整数,o为0-8的整数,x为0-4的整数,y为1-16的整数,其中(n-o)+x+y≤16,由此形成的复杂盐可用作潜在的固化催化剂。
  • Aminoglycoside antibiotic compounds
    申请人:Schering Corporation
    公开号:US04230847A1
    公开(公告)日:1980-10-28
    Selective blocking of some amino groups in a polyamino organic compound having at least one pair of available neighboring hydroxyl and amino groups is effected by first preparing in situ transition metal salt complexes of available neighboring amino and hydroxyl group pairs in said polyamino organic compound, followed by introduction of blocking groups on the non-complexed amino groups and, finally, removing the transition metal cations from the selectively N-blocked polyamino organic compound complex to obtain a polyamino organic compound having selectively blocked amino groups. This process is particularly valuable when carrying out aminocyclitol-aminoglycoside transformations utilizing transition metal salt complexes of cupric acetate, nickel (II) acetate, cobalt (II) acetate or mixtures thereof.
    在至少具有一对可用相邻羟基和氨基的多氨基有机化合物中,通过首先制备所述多氨基有机化合物中可用的相邻氨基和羟基对的原位过渡金属盐络合物,然后在非络合氨基上引入阻断基,最后从选择性N-阻断的多氨基有机化合物络合物中去除过渡金属阳离子,以获得具有选择性阻断氨基的多氨基有机化合物。当使用乙酸铜、乙酸镍(II)、乙酸钴(II)或其混合物的过渡金属盐络合物进行氨基环糖苷转化时,此过程特别有价值。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸 麦撒奎 鹅膏氨酸 鹅膏氨酸 鸦胆子酸A甲酯 鸦胆子酸A 鸟氨酸缩合物