氮化铬(III) | 12645-11-3

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 中文名称: 氮化铬(III)
• 英文名称: chromium mononitride
• 英文别名: Chromium nitride；azanylidynechromium
• CAS: 12645-11-3；24094-93-7
• 化学式: CrN
• 分子量: 66.0027
• InChiKey: CXOWYMLTGOFURZ-UHFFFAOYSA-N

物化性质

• 熔点：
  decomposes at 1282℃ [COT88]
• 密度：
  6.14

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 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：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

铬通过口腔、吸入或皮肤接触被吸收，并分布到几乎所有组织中，肾脏和肝脏中浓度最高。骨骼也是一个主要的储存场所，并可能导致长期保留。六价铬与硫酸盐和铬酸盐的相似性使其能够通过硫酸盐转运机制进入细胞。在细胞内，六价铬首先被还原为五价铬，然后通过许多物质，包括抗坏血酸、谷胱甘肽和烟酸腺嘌呤二核苷酸还原为三价铬。铬几乎完全通过尿液排出体外。（A12, L16）

Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

三价铬还可能形成与肽、蛋白质和DNA的复合物，导致DNA-蛋白质交联、DNA链断裂、DNA-DNA链间交联、铬-DNA加合物、染色体畸变以及细胞信号通路的变化。已经证明，它通过过度刺激细胞调节通路并激活某些丝裂原活化蛋白激酶来增加过氧化物的水平，从而诱导癌变。它还可能通过将组蛋白去乙酰化酶1-DNA甲基转移酶1复合物与CYP1A1启动子染色质交联，抑制组蛋白修饰，从而引起转录抑制。铬可能通过修饰金属调节转录因子1来增加自身的毒性，导致抑制锌诱导的金属硫蛋白转录。(A12, L16, A34, A35, A36)

Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (A12, L16, A34, A35, A36)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 其对人类致癌性无法分类。

3, not classifiable as to its carcinogenicity to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

三价铬的毒性不高。它可能被氧化成六价铬，这是一种已知的致癌物质。六价铬还被证明会影响生殖和发育。（A12）

Chromium in its trivalent state is not very toxic. It may be oxidized to hexavalent chromium, a known carcinogen. Hexavalent chromium has also been shown to affect reproduction and development. (A12)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L16）；吸入（L16）；皮肤给药（L16）

Oral (L16) ; inhalation (L16) ; dermal (L16)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

三价铬不具高毒性，但它可能被氧化为六价铬。吸入六价铬可能会刺激鼻粘膜，导致鼻溃疡、流鼻涕以及呼吸问题，如哮喘、咳嗽、气短或喘鸣。摄入六价铬会在胃和小肠造成刺激和溃疡，并可能导致贫血。皮肤接触可能导致皮肤溃疡。

Chromium in its trivalent state is not very toxic, but it may be oxidized to hexavalent chromium. Breathing hexavalent chromium can cause irritation to the lining of the nose, nose ulcers, runny nose, and breathing problems, such as asthma, cough, shortness of breath, or wheezing. Ingestion of hexavalent chromium causes irritation and ulcers in the stomach and small intestine, as well as anemia. Skin contact can cause skin ulcers. (L16)

来源:Toxin and Toxin Target Database (T3DB)

制备方法与用途

类别：有毒物质

爆炸物危险特性
与水反应

可燃性危险特性
可燃，火场排出含铬辛辣刺激烟雾

储运特性
库房低温、通风、干燥；包装密闭、防水；防潮

灭火剂
二氧化碳、干粉、泡沫

反应信息

• 作为产物：
  描述：

  氨 生成 氮化铬(III)
  参考文献：
  名称：

  BOUDART, MICHEL;OYAMA, SHIGEO T.;VOLPE, LEO

  摘要：

  DOI：

文献信息

• First observation and electronic spectroscopy of chromium mononitride: The <i>A ⁴Π_r←X ⁴Σ⁻</i> transition near 745 nm
  作者：Walter J. Balfour、Charles X. W. Qian、Chi Zhou

  DOI：10.1063/1.473485

  日期：1997.3.15

  We report the first gas phase spectroscopic study of chromium mononitride. CrN molecules were generated in our laser vaporization molecular beam source and studied using laser induced fluorescence techniques. Twelve vibronic subbands of Cr14N have been rotationally analyzed in the 745–647 nm region. These bands are assigned to the A 4Πr←X 4Σ− transition. The assigned ground state electron configuration 1δ29σ1 and symmetry are identical to those of the isovalent VO, MoN, and WN molecules. The energy observed for the excited 4Πr state matches closely the first 4Π state energy derived from a recent ab initio calculation [J. F. Harrison, J. Phys. Chem. 100, 3513 (1996)]. In addition to the A-X transition, 11 other bands of Cr14N have been identified and vibrationally assigned to transitions involving two other excited states, presumably the B4Σ−, and a 2Π state. Comparisons with the isovalent VO, MoN, and WN systems have provided more insights into the bonding and electronic structure of the CrN molecule.
• The permanent electric dipole moments of chromium and vanadium mononitride: CrN and VN
  作者：Timothy C. Steimle、J. Scott Robinson、Damian Goodridge

  DOI：10.1063/1.478055

  日期：1999.1.8

  The Pe(1), F″=2.5 branch feature of the (0,0) D 3Π0e–X 3Δ1 band system of VN51 was recorded as a function of an applied static electric field. The resultant Stark splitting and shifts were analyzed giving values of 3.07(7) D and 6.1(4) D for the X 3Δ1 and D 3Π0e states, respectively, for the magnitude of the permanent electric dipole moment, |μ|. Similarly, the Ree(0.5) branch feature of the (0,0) A 4Π3/2–X 4Σ− band system of CrN52 was recorded as a function of an applied static electric field and analyzed to produce |μ| values of 2.31(4) D and 5.42(2) D for the X 4Σ− and A 4Π3/2 states, respectively. In order to facilitate the dipole moment determinations for CrN52 it was necessary to record and analyze the field free spectrum of the (0,0) A 4Π3/2–X 4Σ− subband system. A comparison of the dipole moments for the first row monoxides and mononitrides is made and trends are discussed with reference to a molecular orbital correlation scheme.
• The interacting B 4Σ− and d 2Π states of CrN: A laser induced and dispersed fluorescence study
  作者：Chi Zhou、Walter J. Balfour、Charles X. W. Qian

  DOI：10.1063/1.474809

  日期：1997.9.22

  Chromium mononitride molecules have been produced in a laser vaporization molecular beam source using Cr metal and ammonia. The complex CrN LIF spectra between 430 and 490 nm have been examined in detail and representative bands in three new electronic subsystems, labeled B 4Σ−←X 4Σ−, d 2Π3/2←X 4Σ−, and d 2Π1/2←X 4Σ−, have been rotationally analyzed. Perturbations between the B 4Σ− and d 2Π states and their dependence on vibrational quantum numbers have been examined. Dispersed fluorescence (DF) spectra have been recorded which provided a measure of the state mixing. The DF spectra also reveal the presence of an electronic state of CrN with T∼6000 cm−1, identified as the a 2Σ− state. Molecular parameters in the B 4Σ−, d 2Π, and a 2Σ− states have been established.
• ITINOSEHKI, KEITI;IVABUTI, KEHNGO
  作者：ITINOSEHKI, KEITI、IVABUTI, KEHNGO

  DOI：——

  日期：——
• ——
  作者：YAMAGUTI AKIESI

  DOI：——

  日期：——