氟铜 | 13478-41-6

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 氟铜
• 中文别名: 铜(1+)氟化
• 英文名称: copper(I) fluoride
• 英文别名: cuprous fluoride；copper monofluoride；Copper(1+);fluoride
• CAS: 13478-41-6
• 化学式: CuF
• 分子量: 82.5444
• InChiKey: BMRUOURRLCCWHB-UHFFFAOYSA-M

物化性质

• 密度：
  7.100

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  2
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

铜主要通过胃肠道吸收，但也可以通过吸入和皮肤吸收。它通过基底外侧膜，可能是通过调节铜转运蛋白，并与血清白蛋白结合被运输到肝脏和肾脏。肝脏是铜稳态的关键器官。在肝脏和其他组织中，铜以与金属硫蛋白、氨基酸结合以及与依赖铜的酶相关联的形式储存，然后分配通过胆汁排出或并入细胞内和细胞外蛋白中。铜通过血浆中与血清白蛋白、铜蓝蛋白或低分子量复合物结合被运输到外周组织。铜可能诱导金属硫蛋白和铜蓝蛋白的产生。膜结合的铜转运腺苷三磷酸酶（Cu-ATPase）将铜离子输送到细胞内和细胞外。体内生理正常水平的铜通过改变铜的吸收速率和数量、分布区域以及排泄来保持恒定。(L277, L279)

Copper is mainly absorbed through the gastrointestinal tract, but it can also be inhalated and absorbed dermally. It passes through the basolateral membrane, possibly via regulatory copper transporters, and is transported to the liver and kidney bound to serum albumin. The liver is the critical organ for copper homoeostasis. In the liver and other tissues, copper is stored bound to metallothionein, amino acids, and in association with copper-dependent enzymes, then partitioned for excretion through the bile or incorporation into intra- and extracellular proteins. The transport of copper to the peripheral tissues is accomplished through the plasma attached to serum albumin, ceruloplasmin or low-molecular-weight complexes. Copper may induce the production of metallothionein and ceruloplasmin. The membrane-bound copper transporting adenosine triphosphatase (Cu-ATPase) transports copper ions into and out of cells. Physiologically normal levels of copper in the body are held constant by alterations in the rate and amount of copper absorption, compartmental distribution, and excretion. (L277, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

过量的铜被储存在肝细胞溶酶体中，在那里它与金属硫蛋白结合。当溶酶体饱和，铜在细胞核中积累，导致核损伤时，铜的肝毒性被认为会发生。这种损伤可能是由于氧化损伤，包括脂质过氧化。铜抑制了诸如葡萄糖-6-磷酸1-脱氢酶、谷胱甘肽还原酶和对氧磷酶等含有巯基团的酶，这些酶保护细胞免受自由氧自由基的损害。它还影响基因表达，并且是诸如细胞色素C氧化酶和赖氨氧化酶等氧化酶的辅因子。此外，由铜引起的氧化应激被认为会激活酸性鞘磷脂酶，导致神经酰胺的产生，这是一种凋亡信号，同时也会引起溶血性贫血。铜诱导的呕吐是由于迷走神经的刺激。

Excess copper is sequestered within hepatocyte lysosomes, where it is complexed with metallothionein. Copper hepatotoxicity is believed to occur when the lysosomes become saturated and copper accumulates in the nucleus, causing nuclear damage. This damage is possibly a result of oxidative damage, including lipid peroxidation. Copper inhibits the sulfhydryl group enzymes such as glucose-6-phosphate 1-dehydrogenase, glutathione reductase, and paraoxonases, which protect the cell from free oxygen radicals. It also influences gene expression and is a co-factor for oxidative enzymes such as cytochrome C oxidase and lysyl oxidase. In addition, the oxidative stress induced by copper is thought to activate acid sphingomyelinase, which lead to the production of ceramide, an apoptotic signal, as well as cause hemolytic anemia. Copper-induced emesis results from stimulation of the vagus nerve. (L277, T49, A174, L280)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

人们每天必须吸收少量铜，因为铜对健康至关重要。然而，高水平的铜可能有害。极高的铜剂量可能对肝脏和肾脏造成损害，甚至可能导致死亡。铜可能在敏感个体中引发过敏反应。

People must absorb small amounts of copper every day because copper is essential for good health, however, high levels of copper can be harmful. Very-high doses of copper can cause damage to your liver and kidneys, and can even cause death. Copper may induce allergic responses in sensitive individuals. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L277）；吸入（L277）；皮肤给药（L277）

Oral (L277) ; inhalation (L277) ; dermal (L277)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

吸入高浓度的铜可以导致鼻子和喉咙的刺激。摄入高浓度的铜可以引起恶心、呕吐、腹泻、头痛、眩晕和呼吸困难。

Breathing high levels of copper can cause irritation of the nose and throat. Ingesting high levels of copper can cause nausea, vomiting, diarrhea, headache, dizziness, and respiratory difficulty. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为产物：
  描述：

  copper (II)-fluoride 以 neat (no solvent, gas phase) 为溶剂， 生成 氟铜
  参考文献：
  名称：

  a3Σ+态一氟化铜的核超精细分裂

  摘要：

  摘要 CuF 的 a 3 Σ + - X 1 Σ + 系统的 (0, 0) 带中的谱线已通过激光诱导荧光以多普勒限制分辨率记录。与铜核相关的核超精细结构在许多旋转线中清楚地解析。这些特征已被测量并用于确定 3 Σ + 状态下 63 CuF 的分子参数。讨论了超精细参数对电子波函数的影响，并表明与最近的理论计算一致。

  DOI：

  10.1016/0022-2852(83)90313-2

文献信息

• The Cu + F2 chemiluminescent reaction revisited. I. Spectroscopy of the CuF product
  作者：P. Baltayan、F. Hartmann、J.C. Pebay-Peyroula、N. Sadeghi

  DOI：10.1016/0301-0104(88)87214-8

  日期：1988.2

  As a first step towards interpreting the dynamics of the Cu + F2 chemiluminescent reaction, the spectroscopy of the CuF product has been reassessed with particular emphasis on the vibrational structure of the C1Π-X1Σ+ and A(3Π1)-X 1Σ+ transitions. The Te, ωe, ωexe, ωeye and ωeze spectroscopic constants have been assigned for the

  作为实现解释的Cu + F的动态特性的第一步骤2化学发光反应中，CUF产物的光谱已经被重新评估特别强调的C的振动结构1 Π-X 1 Σ +和A（3 Π 1） -X 1 Σ +过渡。的Ť ë，ω ê，ω ë X ë，ω È ÿ Ë和ω ë ž Ë光谱常数已被分配给
• Molecular beam study of the Cu+F₂ chemiluminescent reactions
  作者：R. W. Schwenz、J. M. Parson

  DOI：10.1063/1.439843

  日期：1980.7

  Chemiluminescence of CuF formed in the reaction of ground state Cu and F2 has been studied using a molecular beam–scattering gas arrangement. Relative rates for forming the A, B, and C states of CuF were determined, and an inversion of population is observed for the C relative to the B state. Computer simulations of the observed spectra have provided information on the vibrational and rotational distributions in the excited CuF states. Simulation of the B and C spectra is straightforward, but the A state must include 1Σ and 1Π parts of a p complex, as well as corrections for diffusion from the observation region. Average fractions of energy available disposed in vibration are 0.30, 0.34, and 0.29–0.38 for the C, B, and A states, respectively. Average fractions disposed in rotation for the same three states are 0.21, 0.20, and 0.21–0.22. These fractions correspond closely to prior expectations based on product densities for vibration, but are much less than prior expectations for rotation. Weak emission is also observed from the a(3Σ) state with average vibrational energy close to prior expectations.
• SOMMERS, JAMES A.
  作者：SOMMERS, JAMES A.

  DOI：——

  日期：——
• SHENDRIK V. P.; LYAX O. D., ODES. POLITEXN. IN-T, ODESSA,(1987) 4 S., IL., UKRNIINTI , 815-YK87
  作者：SHENDRIK V. P.、 LYAX O. D.

  DOI：——

  日期：——
• Nuclear hyperfine splittings for copper monofluoride in the a3Σ+ state
  作者：Christopher R. Brazier、John M. Brown、Mark R. Purnell

  DOI：10.1016/0022-2852(83)90313-2

  日期：1983.6

  have been recorded at Doppler-limited resolution by laser-induced fluorescence. Nuclear hyperfine structure associated with the Cu nucleus is clearly resolved in many rotational lines. The features have been measured and used to determine molecular parameters for 63 CuF in the a 3 Σ + state. The implications of the hyperfine parameters for the electronic wavefunction are discussed and are shown to be

  摘要 CuF 的 a 3 Σ + - X 1 Σ + 系统的 (0, 0) 带中的谱线已通过激光诱导荧光以多普勒限制分辨率记录。与铜核相关的核超精细结构在许多旋转线中清楚地解析。这些特征已被测量并用于确定 3 Σ + 状态下 63 CuF 的分子参数。讨论了超精细参数对电子波函数的影响，并表明与最近的理论计算一致。