potassium selenocyanate | 3425-46-5

• 物质功能分类: 无机化工 - 无机盐 - 氰化物、氰氧化物及氰络合物
• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: potassium selenocyanate
• 英文别名: KSeCN；potassium selenocyanide；potassium isoselenocyanate；selenocyanatopotassium
• CAS: 3425-46-5
• 化学式: CNSe*K
• 分子量: 144.076
• InChiKey: KYEKHFSRAXRJBR-UHFFFAOYSA-M

物化性质

• 熔点：
  147 °C
• 密度：
  2.347
• 暴露限值：
  ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  -3.36
• 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：
  23.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 危险品标志：
  T,N
• 安全说明：
  S20/21,S28,S45,S60,S61
• 危险类别码：
  R50/53,R23/25,R33
• WGK Germany：
  3
• 海关编码：
  2929909090
• 危险品运输编号：
  UN 3283 6.1/PG 2
• 危险类别：
  6.1
• RTECS号：
  VT1400000
• 包装等级：
  II
• 危险标志：
  GHS06,GHS08,GHS09
• 危险性描述：
  H300,H331,H373,H410
• 危险性防范说明：
  P261,P264,P273,P301 + P310,P311,P501
• 储存条件：
  常温、避光、通风干燥处，密封保存。

SDS

Name:	Potassium selenocyanate 99% Material Safety Data Sheet
Synonym:
CAS:	3425-46-5

Section 1 - Chemical Product MSDS Name:Potassium selenocyanate 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3425-46-5	POTASSIUM SELENOCYANATE		222-320-1

Hazard Symbols: T
Risk Phrases: 23/25 33

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation and if swallowed. Danger of cumulative effects.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Poison by ingestion. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Toxic if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Substance is noncombustible.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep under a nitrogen blanket.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3425-46-5: United Kingdom, WEL - TWA: (listed as selenium compounds): 0.1 mg TWA (except hydrogen selenide, as Se) United Kingdom, WEL - STEL: (listed as selenium compounds): 0.3 m STEL (except hydrogen selenide, as Se) United States OSHA: 0.2 mg/m3 TWA (as Se) (listed under Selenium compounds).
Belgium - TWA: (listed as selenium compounds): 0.2 mg/m3 VLE (as Japan: (listed as selenium compounds): 0.1 mg/m3 OEL (except SeH2 SeF6, as Se) Malaysia: (listed as selenium compounds): 0.2 mg/m3 TWA (as Se) Netherlands: (listed as selenium compounds): 0.1 mg/m3 MAC (as Se Spain: (listed as selenium compounds): 0.1 mg/m3 VLA-ED (except hydrogen selenide, as Se) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 157 - 160 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: CKNSe
Molecular Weight: 144.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, selenium/selenium oxides.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3425-46-5: VT1400000 LD50/LC50:
CAS# 3425-46-5: Dermal, guinea pig: LD50 = 50 mg/kg; Oral, mouse: LD50 = 25 mg/kg; Oral, rat: LD50 = 10 mg/kg.
Carcinogenicity:
POTASSIUM SELENOCYANATE - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: II
IMO
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: II
RID/ADR
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 20/21 When using do not eat, drink or smoke.
S 28A After contact with skin, wash immediately with
plenty of water.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 3425-46-5: No information available.
Canada
CAS# 3425-46-5 is listed on Canada's DSL List.
CAS# 3425-46-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3425-46-5 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

硒氰酸钾是一种无机化合物，表现为无色且极易潮解的针状晶体。

性质

硒氰酸钾可溶于水、二甲基甲酰胺、乙二醇二甲醚、六甲基磷酰三胺和乙腈，并微溶于四氢呋喃。

制备方法

硒氰酸钾可以通过多种方式制备。一种常见的方法是将硒与纯的氰化钾共熔，反应方程式如下：

[ \text{Se} + \text{KCN} \rightarrow \text{KSeCN} ]

此外，在热水或乙醇中也可以进行该反应。

另一种制备方法是让硒和亚铁氰酸钾在共熔条件下反应，生成硒氰酸钾、二价铁和氮气：

[ \text{K}_4[\text{Fe(CN)}_6] + 4\text{Se} \xrightarrow{\text{共熔}} 4\text{KSeCN} + \text{FeC}_2 + \text{N}_2↑ ]

需要注意的是，硒氰酸根离子与醇反应会产生有恶臭的烷基硒氰酸酯，在乙醇中的反应也不受人欢迎。

用途

随着对重金属原子核固态核磁共振（NMR）研究的关注持续升温，已经制备出了若干种汞-硫氰酸盐和硒氰酸盐化合物作为潜在模型。

反应信息

• 作为反应物：
  描述：

  potassium selenocyanate 在 W(CO)5(THF) 作用下， 以 四氢呋喃 、 二乙二醇二甲醚 为溶剂， 生成 selenium
  参考文献：
  名称：

  五羰基钨各种新型离子衍生物的制备、表征和性质

  摘要：

  配合物 [Li(DIME)2][W(CO)5L] [L = OCN 2, NCS 3a, PPh24, SiMe2Ph 8, N(SiMe3)29, CH2Ph 10, Si6Me1111; DIME = 二乙二醇二甲醚] 已通过 [Li(DIME)2][W(CO)5I] (1) 与 KOCN、KSCN、NaPPh2、LiSiMe2Ph、LiN(SiMe3)2、PhCH2MgCl 和 KSi6Me11 的反应制备，分别。W(CO)6 中的光化学配体取代已被用作制备五羰基钨酸盐的替代方法；[K(DIME)2][W(CO)5NCS] (3b), [Na(DIME)2][W(CO)5N3] (5), [Li(DIME)2][W2(CO)10( μ-H)] (6) 和 [K(DIME)2][W2(CO)10(μ-CN)](7) 以这种方式合成。[Li(DIME)2][W(CO)5Si6Me11] (11)

  DOI：

  10.1002/(sici)1099-0682(199910)1999:10<1813::aid-ejic1813>3.0.co;2-d
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 selenium 作用下， 生成 potassium selenocyanate
  参考文献：
  名称：

  Crookes, Justus Liebigs Annalen der Chemie, 1851, vol. 78, p. 182

  摘要：

  DOI：
• 作为试剂：
  描述：

  2,3-bis((2-nitrophenyl)sulfonamido)butane-1,4-diyl dimethanesulfonate (trans) 在 potassium selenocyanate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 6.0h， 生成 1,4-bis((2-nitrophenyl)sulfonyl)octahydro[1,2]diselenino[4,5-b]pyrazine (trans)
  参考文献：
  名称：

  哌嗪稠合环状二硫化物解锁硫氧还蛋白的高性能生物还原探针和硫醇氧化还原生物学的双功能试剂

  摘要：

  我们报告了哌嗪稠合的六元环二硫化物作为氧化还原底物，为活细胞生物学解锁了一流的生物还原探针，因为它们在还原后的自焚速度是前所未有的快。我们开发了可扩展的、非对映体纯的六步合成方法，无需色谱法即可获得四种关键的顺式和反式哌嗪稠合环状二硫属化物。使用二硫化物哌嗪的荧光氧化还原探针的活化速度比现有技术的单胺快>100倍，这使得我们能够在活化过程中对还原和环化速率进行解卷积。顺式和反式稠合非对映异构体具有显着不同的还原剂特异性，我们将其追溯到哌嗪船/椅构象效应：顺式稠合二硫键C-DiThia仅被强邻位二硫醇还原剂激活，而反式二硫键则仅被强邻位二硫醇还原剂激活。 T-DiThia甚至可以被中等浓度的单硫醇（例如 GSH）激活。因此，在细胞应用中，顺式二硫键探针选择性地报告强大的硫氧还蛋白蛋白的还原活性，而反式二硫键则反应迅速但混杂。最后，我们展示了哌嗪二硫化物的后期多样化，有望作为探针和前药的氧化还

  DOI：

  10.1021/jacs.3c11153

文献信息

• Design, synthesis, and bioassay of 4-thiazolinone derivatives as influenza neuraminidase inhibitors
  作者：Mengwu Xiao、Lvjie Xu、Ding Lin、Wenwen Lian、Manying Cui、Meng Zhang、Xiaowei Yan、Shuishi Li、Jun Zhao、Jiao Ye、Ailin Liu、Aixi Hu

  DOI：10.1016/j.ejmech.2021.113161

  日期：2021.3

  A series of 4-thiazolinone derivatives (D1-D58) were designed and synthesized. All of the derivatives were evaluated in vitro for neuraminidase (NA) inhibitory activities against influenza virus A (H1N1), and the inhibitory activities of the five most potent compounds were further evaluated on NA from two different influenza viral subtypes (H3N2 and B), and then their in vitro anti-viral activities

  设计并合成了一系列4-噻唑啉酮衍生物（D1-D58）。在体外评估了所有衍生物对甲型流感病毒（H1N1）的神经氨酸酶（NA）抑制活性，并进一步评估了来自两种不同流感病毒亚型（H3N2和B）的五种最有效化合物对NA的抑制活性，然后使用细胞病变效应（CPE）降低法评估其体外抗病毒活性。结果表明，大多数目标化合物均显示出中等至良好的NA抑制活性。化合物D18对IC 50的抑制作用最强H1N1流感亚型的抗药性值为13.06μM。中所选择的化合物，D18和D41被证明是针对流感病毒H3N2亚型的最有效的抑制剂（IC 50 = 15.00μM和IC 50 = 14.97μM，分别地）。D25是对抗B型流感最有效的化合物（IC 50 = 16.09μM）。此外，在细胞测定中，D41对N1-H275Y变体显示出比参考化合物Oseltamivir和Amantadine低的毒性和更高的效力。结构-活性关系（SAR）分析表明，引入4-CO
• (3 + 2)-Cycloaddition of Donor–Acceptor Cyclopropanes with Selenocyanate: Synthesis of Dihydroselenophenes and Selenophenes
  作者：Anu Jacob、Peter G. Jones、Daniel B. Werz

  DOI：10.1021/acs.orglett.0c03329

  日期：2020.11.6

  We present a Lewis-acid-catalyzed (3 + 2)-cycloaddition of donor–acceptor cyclopropanes and selenocyanate (as its tetramethylammonium salt) for the synthesis of dihydroselenophenes. The transformation proceeded with moderate to excellent yields and showed a high functional group tolerance. Further oxidation using DDQ delivered selenophenes.

  我们提出了供体-受体环丙烷和硒氰酸酯（作为其四甲基铵盐）的路易斯酸催化（3 + 2）-环加成反应，用于合成二氢硒代苯。转化以中等至优异的产率进行，并显示出高的官能团耐受性。使用DDQ进一步氧化可得到硒烯。
• Oxidative umpolung selenocyanation of ketones and arenes: An efficient protocol to the synthesis of selenocyanates
  作者：Jianguo Cui、Meizhen Wei、Liping Pang、JunAn Xiao、Chunfang Gan、Jiali Guo、Chuanfang Xie、Qiming Zhu、Yanmin Huang

  DOI：10.1016/j.tet.2020.130978

  日期：2020.3

  A practical method for the umpolung selenocyanation of aryl ketones, alkyl ketones, β-ketoesters and electron-rich arenes has been developed, affording various selenocyanates in moderate to excellent yields. This transformation proceeds by an oxidative umpolung selenocyanation through nitrogen oxides-mediated electrophilic selenocyanation process. This method is simpler, more efficient, and less costly

  已经开发出一种实用的方法，用于将芳基酮，烷基酮，β-酮酸酯和富电子芳烃进行硒代硒化，从而以中等至极好的收率提供各种硒代氰酸酯。通过氮氧化物介导的亲电子硒氰化过程的氧化型硒化硒氰化来进行这种转变。与以前的方法相比，此方法更简单，更有效且成本更低。进行芳基硒酸氰酸酯的进一步转化以证明该方法的合成效用。
• Imidazolium-containing diselenides for catalytic oxidations with hydrogen peroxide and sodium bromide in aqueous solutions
  作者：Eduardo E. Alberto、Antonio L. Braga、Michael R. Detty

  DOI：10.1016/j.tet.2012.08.004

  日期：2012.12

  The design and synthesis of imidazolium-containing diselenides 4a–c is described. The introduction of the N-methylimidazolium group gives freely soluble compounds in water, unlike the majority of common organic diselenides. Catalytic amounts of 4a–c effectively promote bromination of organic substrates using a safe and inexpensive NaBr/H2O2 system in water. Kinetics experiments revealed that the bromination

  描述了含咪唑鎓二硒化物4a – c的设计与合成。与大多数常见的有机二硒化物不同，N-甲基咪唑鎓基团的引入可在水中提供可自由溶解的化合物。使用安全和廉价的NaBr / H 2 O 2水溶液，催化量的4a – c可有效促进有机底物的溴化。动力学实验表明，4-戊烯酸的溴化反应对NaBr和H 2 O 2都具有一级依赖性浓度反应速率也对溶液的pH敏感。制备反应表明，与4a相比，二苯基二硒化物5是不良的催化剂，离子液体溴化1-苄基-3-甲基咪唑鎓溴化物6没有与H 2 O 2的催化活性，表明结合的官能团具有协同作用。
• 双（S,S-二氧-二苯并噻吩）并五元环化合物及 其制备方法与应用
  申请人：华南理工大学

  公开号：CN105017302B

  公开（公告）日：2019-06-18

  本发明公开双（S,S‑二氧‑二苯并噻吩）并五元环化合物及其制备方法与应用。所述双S,S‑二氧二苯并噻吩并五元环中双砜基的存在更加有利于提高分子的电子亲和势。在五元环上引入烷基链可以显著改善单体在有机溶剂中的溶解性。化合物的平面共轭性较好，有利于载流子的传输。化合物分子内存在较强的D‑A相互作用赋予材料较好的荧光性。双S,S‑二氧‑二苯并噻吩并五元环化合物通过取代反应、Suzuki偶联、闭环反应和氧化反应等常用有机化学反应合成得到。化合物在有机溶剂中有良好的溶解性，适合于溶液加工。在有机发光显示、有机光伏电池以及有机场效应管领域有着广泛的应用前景。