iodine isocyanate | 3607-48-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: iodine isocyanate
• 英文别名: Jodisocyanat；Iod-isocyanat；iodoimino(oxo)methane
• CAS: 3607-48-5
• 化学式: CINO
• 分子量: 168.922
• InChiKey: NPURPEXKKDAKIH-UHFFFAOYSA-N

物化性质

• 沸点：
  117.1±23.0 °C(Predicted)
• 密度：
  2.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  4
• 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：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2929109000

反应信息

• 作为反应物：
  描述：

  iodine isocyanate 生成 diiododioxycyanide
  参考文献：
  名称：

  Birckenbach, M.; Linhard, M., Berichte der Deutschen Chemischen Gesellschaft, 1930, vol. 63, p. 2544 - 2558

  摘要：

  DOI：
• 作为产物：
  描述：

  silver cyanate 在 碘 作用下， 生成 iodine isocyanate
  参考文献：
  名称：

  Photochemistry of BrNCO and INCO

  摘要：

  The absorption spectra of BrNCO and INCO in the region 160–400 nm are continuous in nature, and photolysis of these molecules with pulsed excimer lasers leads to dissociation. Photolysis of BrNCO and INCO at 308 and 351 nm, respectively, produces vibrationally cold ground state NCO radicals. Weak NCO A 2Σ+→X 2Π emission results from two-photon absorption processes at these wavelengths. Photolysis of BrNCO and INCO at 193 and 222 nm, respectively, produces intense NCO A 2Σ+→X 2Π emission. The NCO(A) is a direct one-photon photofragment in each case, and has considerable vibrational excitation. The yield of NCO(A) from BrNCO photolysis at 193 nm is approximately 16%; the yield of NCO(A) from INCO photolysis at 222 nm is near 13%. From the production of NCO(A) at these wavelengths and the short wavelength limit of the NCO A 2Σ+→X 2Π emission, limits on the heats of formation of these molecules are found to be ΔHf(BrNCO)≥−1.7 kcal mol−1 and ΔHf(INCO)≥10.9 kcal mol−1. These results demonstrate the preference of the halogen isocyanates for dissociation to doublet fragments by scission of the nitrogen–halogen bond, in contrast to the analogous halogen azides which photodissociate to singlet or triplet fragments.

  DOI：

  10.1063/1.456510

文献信息

• Synthesis and some reactions of tris (pentafluorophenyl) antimony compounds
  作者：Prem Raj、A.K. Saxena、Kiran Singhal、Ashok Ranjan

  DOI：10.1016/s0277-5387(00)84497-6

  日期：1985.1

  Abstract (C6F5)3Sb has been found to react with interhalogens and halo-pseudohalogens, IX(X = Cl, Br, N3 and NCO), pseudohalogen (SCN), and elemental sulphur to give oxidative addition products (I–VI). (C6F5)3SbS(VI) may also be prepared by the reaction of (C6F5)3SbCl2 with H2S. Metathetical reactions of (C6F5)3SbCl2 with appropriate metallic salts yield covalent pentacoordinate disubstituted products

  摘要（C6F5）3Sb已与卤素间和卤代假卤素，IX（X = Cl，Br，N3和NCO），拟卤素（SCN）和元素硫反应生成氧化加成产物（I–VI）。（C6F5）3SbS（VI）也可以通过（C6F5）3SbCl2与H2S反应制备。（C6F5）3SbCl2与适当的金属盐的易位反应生成通式为（C6F5）3SbY2的共价五配位双取代产物（V，VII–XII）（Y = NCS，NCO，-ONCMe2，-ONCMePh -NCO（CH 2） 2 CO和对-NO2C6H4OCO）。用NaN3水溶液处理（C6F5）3SbCl2，得到双核氧桥化合物，[（C6F5）3SbOSb（C6F5）3]（N3）2·（III）和（IV）也可通过取代反应获得（I）或（II）与相应的金属盐。分子量，电导率测量，并获得了新的有机锑（V）衍生物的红外光谱。（C6F5）3SbS与六芳基双联键Ar6Pb2（Ar =苯基，对甲苯基）
• The infrared spectra of the halogen isocyanate and thiocyanate vapor molecules
  作者：T.C. Devore

  DOI：10.1016/0022-2860(87)87060-6

  日期：1987.11

  Abstract Fourier transform infrared spectroscopy has been used to investigate the IR spectra of the XNCO (X = Cl, Br, I, CN), the XSCN (X = Cl, Br, I) and the NCNCS vapor molecules from 4800 to 400 cm −1 . Vibrational frequencies have been determined for each normal mode of vibration in each molecule in this region.

  摘要 傅里叶变换红外光谱已用于研究 XNCO (X = Cl, Br, I, CN)、XSCN (X = Cl, Br, I) 和 NCNCS 蒸气分子从 4800 到 400 cm - 的红外光谱。 1 . 已经确定了该区域中每个分子中每种正常振动模式的振动频率。
• On the reactivity of less common halopseudohalogens towards metalcarbon- and metalmetal-bonded compounds
  作者：Prem Raj、Kiran Singhal、Rajiv Rastogi

  DOI：10.1016/s0277-5387(00)84419-8

  日期：1986.1

  Freshly generated solutions of iodine azide (IN3) and iodine isocyanate (INCO) in acetonitrile or carbon tetrachloride add oxidatively to tertiaryaryl derivatives of group VB elements, Ar3M (Ar = Ph, p-tolyl, p-ClC6H4 or p-FC6H4, and M = As, Sb or Bi) and diaryltellurium(II), Ar2Te (Ar = Ph or p-CH3OC6H4) at −10°C to −5°C to give stable covalent monomeric products, Ar3MIX and Ar2TeIX, respectively

  新生成的溶液碘叠氮化物（IN 3）和碘乙腈或四氯化碳氧化添加到VB族元素的tertiaryaryl衍生物的异氰酸酯（INCO）中，Ar 3 M（Ar为PH，p -甲苯基，p -ClC 6 ħ 4或p -FC 6 H 4和M = As，Sb或Bi）和二芳基碲（II），Ar 2 Te（Ar = Ph或p -CH 3 OC 6 H 4）在-10°C至-5°C至分别得到稳定的共价单体产物Ar 3 MIX和Ar 2 TeIX（其中X = N 3或NCO）。伪卤化物基团与M的键合方式已经通过固态红外光谱确定。Ar 3 MI（N 3）无法与CS 2反应，但与PhNCY（Y = O或S）反应得到环状四唑衍生物。在Ar 2 MIX和Ar 2 TeIX与假卤化银[AgX'（X'= NCO或NCS）]的复分解反应中也观察到相反的行为。四有机化合物R 4 M（M = Sn或Pb，R = Ph或对甲苯基）和Bu 3
• Synthesis and absolute configuration of methyl α-tetronitroside (kijanoside)
  作者：Keishi Funaki、Kei Takeda、Eiichi Yoshii

  DOI：10.1016/s0040-4039(00)87535-8

  日期：1982.1

  Synthesis of methyl α-D-tetronitroside() from D-mannose via methyl α-D-mycaroside() established the D-configuration for tetronitrose(kijanose), a novel nitro sugar which occurs as a component of the antitumor antibiotics tetrocarcins A and B, and kijanimicin.

  甲基α-d-tetronitroside合成（从）d甘露糖通过α甲基-d-mycaroside（ ）建立tetronitrose（kijanose）的d-配置，这发生作为抗肿瘤抗生素tetrocarcins A的成分的新颖的硝基糖和B，以及奇异霉素。
• Preparations of Pure ISeCN, ISCN, and INCO
  作者：Li Yimin、Qiao Zhimin、Sun Qiao、Zhao Jincai、Li Haiyang、Wang Dianxun

  DOI：10.1021/ic030158v

  日期：2003.12.1

  Pure INCO, ISCN, and the hitherto unknown molecule ISeCN have been prepared in the HeI photoelectron spectrometer (PES) by the heterogeneous reactions of ICl gas with AgNCO, AgSCN at room temperature, and AgSeCN at -9 (+/- 1) degrees C, respectively. They were characterized on line by PES experiments and OVGF calculations. The well-matched results between the PES experiments and OVGF calculations not

  在HeI光电子能谱仪（PES）中，通过ICl气体与AgNCO，AgSCN在室温下以及AgSeCN在-9（+/- 1）摄氏度下的异质反应，已在HeI光电子能谱仪（PES）中制备了纯INCO，ISCN和迄今未知的分子ISeCN ， 分别。通过PES实验和OVGF计算对它们进行了在线表征。PES实验和OVGF计算之间的良好匹配结果不仅表明，该新反应是制备纯INCO和纯ISCN的良好反应，而且还表明，通过将ICl气体在-处通过新鲜的AgSeCN粉末而制得的新化合物迄今未知的ISeCN是9（+/- 1）摄氏度。