丁基黄原酸钾 | 871-58-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇/硫酚
• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 丁基黄原酸钾
• 中文别名: 丁基二硫代碳酸钾；二硫代碳酸-O-丁酯钾盐
• 英文名称: potassium butylxanthate
• 英文别名: potassium n-butyl xanthate；potassium O-butylxanthate；potassium O-butyldithiocarbonate；potassium n-butyl xanthogenate；potassium O-butyl carbonodithioate；potassium O-n-butyl dithiocarbonate；potassium;butoxymethanedithioate
• CAS: 871-58-9
• 化学式: C₅H₉OS₂*K
• 分子量: 188.356
• InChiKey: OMKVZYFAGQKILB-UHFFFAOYSA-M

物化性质

• 熔点：
  70 °C (decomp)
• 溶解度：
  少许溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -1.36
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  4.2
• 安全说明：
  S20/21,S36/37/39
• 危险类别码：
  R20/21/22,R36/38
• 海关编码：
  2930902000
• 危险品运输编号：
  3342
• RTECS号：
  FG1223000
• 包装等级：
  II
• 危险类别：
  4.2
• 储存条件：
  密封冷藏

SDS

Potassium Butylxanthate Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: Potassium Butylxanthate

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Category 4
Acute toxicity (Oral)
Acute toxicity (Inhalation) Category 4
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
Pictograms or hazard symbols
Signal word Warning
Hazard statement Harmful by inhalation and if swallowed
Causes skin irritation
Causes serious eye irritation
Precautionary statements
Avoid breathing.
[Prevention]
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government
Potassium Butylxanthate

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): Potassium Butylxanthate
Percent: >95.0%(T)
CAS Number: 871-58-9
Synonyms: Butylxanthic Acid Potassium Salt
Chemical Formula: C5H9KOS2

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a refrigerator.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Potassium Butylxanthate

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: crystal - powder
Color: White - Pale yellow green
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: No data available
Solubility: No data available

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Heat-sensitive, Light-sensitive
Conditions to avoid:
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Sulphur oxides
Products:

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Section 11. TOXICOLOGICAL INFORMATION
ihl-rat LC50:7690 mg/m3/2H
Acute Toxicity:
orl-rat LD50:456 mg/kg
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available
RTECS Number: FG1223000

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):
Potassium Butylxanthate

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not Listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

丁基黄原酸钾是一种捕收能力较强的浮选药剂，广泛应用于各种有色金属硫化矿的混合浮选中。该药剂特别适用于黄铜矿、闪锌矿和黄铁矿等矿物的浮选。在特定条件下，它还能用于从硫化铁矿中优先浮选硫化铜矿，并可浮选用硫酸铜活化过的闪锌矿。

反应信息

• 作为反应物：
  描述：

  丁基黄原酸钾 在 sodium monochloroacetic acid 、 ammonium hydroxide 作用下， 以 水 为溶剂， 以89%的产率得到O-1-butyl thiocarbamate
  参考文献：
  名称：

  Hairpin Folding Behavior of Mixed α/β-Peptides in Aqueous Solution

  摘要：

  The invention of new strategies for the design of protein-mimetic oligomers that manifest the folding encoded in natural amino acid sequences is a significant challenge. In contrast to the a-helix, mimicry of protein beta-sheets is less understood. We report here the aqueous folding behavior of a prototype alpha-peptide hairpin model sequence varied at cross-strand positions by incorporation of 16 different beta-amino acid monomers. Our results provide a folding propensity scale for beta-residues in a protein beta-sheet context as well as high-resolution structures of several mixed-backbone alpha/beta-peptide hairpins in water.

  DOI：

  10.1021/ja2002346
• 作为产物：
  描述：

  正丁醇 在 二硫化碳 、 氢氧化钾 作用下， 生成 丁基黄原酸钾
  参考文献：
  名称：

  Novel thiadiazoles

  摘要：

  公式为##STR1##的新型噻二唑，其中R是1至3个碳原子的烷基，W选择自氧和硫，X选择自--O--，--S--和##STR2##，R"选择自氢和1至3个碳原子的烷基，n为1、2、3或4，R'选择自氢，--CN，1至3个碳原子的烷氧基，2至4个碳原子的烷氧羰基，2至4个碳原子的烯基，苯基，其可选地用卤素、1至3个碳原子的烷基和1至3个碳原子的烷氧基中的一个成员或用卤素、1至3个碳原子的烷基和1至3个碳原子的烷氧基中的两个成员取代，具有杀虫和杀线虫作用。

  公开号：

  US04069319A1
• 作为试剂：
  描述：

  2-(1H-四唑-5-基)苯胺 在 氢氧化钾 、 亚硝酸正戊酯 、 丁基黄原酸钾 、 溶剂黄146 作用下， 生成 Bis<(2'-tetrazol-5-yl)phenyl> Disulphide
  参考文献：
  名称：

  Ring-chain tautomeric transformations of the product of diazotization of 5-(2?-aminophenyl)tetrazole

  摘要：

  DOI：

  10.1007/bf00506469

文献信息

• Copper-catalyzed synthesis of thiazol-2-yl ethers from oxime acetates and xanthates under redox-neutral conditions
  作者：Zhongzhi Zhu、Xiaodong Tang、Jinghe Cen、Jianxiao Li、Wanqing Wu、Huanfeng Jiang

  DOI：10.1039/c8cc00445e

  日期：——

  acetates and xanthates for the synthesis of thiazol-2-yl ethers with remarkable regioselectivity has been developed. Various oxime acetates, whether derived from aryl ketones or alkyl ketones, or natural product cores are suitable for this conversion. Unique dihydrothiazoles were also obtained when both reaction sites were methine. Mechanistic studies indicated that imino copper(III) intermediates were involved

  新型的铜催化的肟肟酸酯和黄药酸酯的环化反应用于合成噻唑-2-基醚，具有显着的区域选择性。各种衍生自芳基酮或烷基酮的乙酸肟酯，或天然产物核均适用于该转化。当两个反应位点均为次甲基时，也获得了独特的二氢噻唑。机理研究表明，涉及亚氨基铜（III）中间体。另外，该方案在氧化还原中性条件下进行，不需要添加剂或配体。
• Comparative study of the13C nuclear magnetic resonance shifts of carbonyl and thiocarbonyl compounds
  作者：Alan R. Katritzky、Stanislaw Sobiak、Charles M. Marson

  DOI：10.1002/mrc.1260260805

  日期：1988.8

  The 13C spectra of nine novel and fifteen known derivatives YC(:X)Z with X = O or S are reported and compared with literature data. Two linear relationships between 13CO and 13CS are established depending on whether or not Y or Z is linked through an O atom to the CX group. General equations for 13CO and 13CS in terms of the attached groups are also deduced. The 13C chemical shifts of n-butyl and n-octyl groups attached to the heteroatoms in this series of compounds are recorded and discussed.

  报道了九种新衍生物和十五种已知衍生物YC(:X)Z（其中X=O或S）的13C谱，并与文献数据进行比较。根据Y或Z是否通过O原子与CX基团相连，建立了两个关于13CO和13CS的线性关系。还推导出关于附着基团的13CO和13CS的一般方程。记录并讨论了这一系列化合物中连接到杂原子的n-丁基和n-辛基的13C化学位移。
• Novel Xanthate Complexes for the Size-Controlled Synthesis of Copper Sulfide Nanorods
  作者：Mundher Al-Shakban、Peter D. Matthews、Geradius Deogratias、Paul D. McNaughter、James Raftery、Inigo Vitorica-Yrezabal、Egid B. Mubofu、Paul O’Brien

  DOI：10.1021/acs.inorgchem.7b01288

  日期：2017.8.7

  We present a simple, easily scalable route to monodisperse copper sulfide nanocrystals by the hot injection of a series of novel copper(I) xanthate single-source precursors [(PPh3)2Cu(S2COR)] (R = isobutyl, 2-methoxyethyl, 2-ethoxyethyl, 1-methoxy-2-propyl, 3-methoxy-1-butyl, and 3-methoxy-3-methyl-1-butyl), whose crystal structures are also reported. We show that the width of the obtained rods is

  我们提出了一种简单，易于扩展的方法，通过热注射一系列新型新颖的铜（I）黄药酸酯单源前体[（PPh 3）2 Cu（S 2 COR）]（R =异丁基，2 -甲氧基乙基，2-乙氧基乙基，1-甲氧基-2-丙基，3-甲氧基-1-丁基和3-甲氧基-3-甲基-1-丁基），也报道了其晶体结构。我们证明了所得棒的宽度取决于黄药链的长度，我们通过计算研究对其进行了合理化，其中我们表明前驱体的基态能与硫化铜棒宽度之间存在关系。 。
• Metal-Free Oxidative Esterification of Ketones and Potassium Xanthates: Selective Synthesis of α-Ketoesters and Esters
  作者：Xianglin Luo、Runfa He、Qiang Liu、Yanping Gao、Jingqing Li、Xiuwen Chen、Zhongzhi Zhu、Yubing Huang、Yibiao Li

  DOI：10.1021/acs.joc.9b03272

  日期：2020.4.17

  A novel and efficient oxidative esterification for the selective synthesis of α-ketoesters and esters has been developed under metal-free conditions. In the protocol, various α-ketoesters and esters are available in high yields from commercially available ketones and potassium xanthates. Mechanistic studies have proven that potassium xanthate not only promotes oxidative esterification but also provides

  在无金属条件下，已开发出一种新颖，有效的氧化酯化方法，用于选择性合成α-酮酸酯和酯。在该方案中，可从市售的酮和黄原酸钾以高收率获得各种α-酮酸酯和酯。机理研究证明，黄原酸钾不仅促进了氧化酯化反应，而且为反应提供了烷氧基部分，该反应涉及C-O键的裂解和重构。
• In Situ Synthesis of PbS Nanocrystals in Polymer Thin Films from Lead(II) Xanthate and Dithiocarbamate Complexes: Evidence for Size and Morphology Control
  作者：Edward A. Lewis、Paul D. McNaughter、Zhongjie Yin、Yiqiang Chen、Jack R. Brent、Selina A. Saah、James Raftery、Johannes A. M. Awudza、M. Azad Malik、Paul O’Brien、Sarah J. Haigh

  DOI：10.1021/cm504765z

  日期：2015.3.24

  film to decompose the precursor. The effect of precursor chemistry has been explored using lead(II) dithiocarbamates, their 1,10-phen adducts, and lead(II) xanthates with different alkyl chain lengths (butyl, hexyl, and octyl). The xanthates were found to be more promising precursors giving control over nanocrystal size and shape on variation of the alkyl chain length. The lead(II) octyl xanthate complex

  硫化铅已经从聚合物基质中的单分子前体中生长出来，形成了PbS纳米晶体网络。这些材料是用于柔性混合光伏设备的聚合物-纳米颗粒层处理的模型系统。通过将包含前体和聚合物的溶液旋涂到基底上，然后加热膜以分解前体来实现加工。使用二硫代氨基甲酸铅（II），它们的1,10-phen加合物和具有不同烷基链长（丁基，己基和辛基）的黄原酸铅（II）已经探索了前体化学的影响。发现黄原酸酯是更有前途的前体，其在烷基链长度的变化上提供对纳米晶体尺寸和形状的控制。辛酸黄原酸铅（II）络合物引起各向异性生长，

表征谱图