二苯基硫代卡巴肼

二苯基硫代卡巴肼 基本信息
CAS号 622-03-7 分子式 C13H14N4S
分子量 258.34200 精确质量  258.09400
PSA  80.21000 LogP  3.43250

基本信息 展开↓

CAS号:
622-03-7
3D弹球模型:
立即前往扯扯看
分子式:
C13H14N4S
分子量:
258.34200
中文名称:
二苯基硫代卡巴肼
英文名称:
Diphenylthiocarbazide
中文别名:
二苯基硫代卡巴肼;
二苯氨基硫脲;
二苯基硫代羰二肼;
二苯胺基代硫脲;
二苯氨基代硫脲;
二苯基硫卡巴肼
英文别名:
Diphenylthiocarbazide;
1,3-dianilinothiourea
精确分子量/精确质量:
258.09400
极性分子表面积/PSA:
80.21000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
210-717-2
InChI:
InChI=1/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)

生产制备方法及用途展开↓

制备方法


苯肼和二硫化碳反应得到苯肼二硫代甲酸苯肼盐,将其加热、放出硫化氢和氨,转变为二苯基硫代卡巴肼,收率60-75%。

合成制备方法


苯肼和二硫化碳反应得到苯肼二硫代甲酸苯肼盐,将其加热、放出硫化氢和氨,转变为二苯基硫代卡巴肼,收率60-75%。

用途简介


检定铋、镉、钴、铜、铅、银、镍、镁和汞。

用途


检定铋、镉、钴、铜、铅、银、镍、镁和汞。

物化性质展开↓

密度:
1.322g/cm3
熔点:
155°C
沸点:
383.9ºC at 760 mmHg
闪点:
186ºC
折射率:
1.749
其它信息:

1.       性状:暗红色结晶性粉末。

2.       密度(g/mL,25/4):未确定 

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):156-158

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定 

7.       折射率:未确定 

8.       闪点(ºC):未确定 

9.       比旋光度(º):未确定 

10.    自燃点或引燃温度(ºC):未确定 

11.    蒸气压(kPa,25ºC):未确定 

12.    饱和蒸气压(kPa,60ºC):未确定 

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定 

15.    临界压力(KPa):未确定 

16.    油水(辛醇/水)分配系数的对数值:未确定 

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于碱而分解,微溶于冷乙醇和苯。

安全信息展开↓

海关代码:
2930909090
危险类别码:
22-36/37/38
安全说明:
S22-S36/37/39
RTECS号:
FF2800000
安全标志:
S22:不要吸入粉尘。
:

合成路线查看所有的合成路线

  • 17356-08-0

    aminothioamide

  • +

  • 100-63-0

    苯肼

  • ~38%

  • 622-03-7

    二苯基硫代卡巴肼

  • 504-90-5

    carbamothioylsulfanyl carbamodithioate

  • +

  • 100-63-0

    苯肼

  • 7664-41-7

    液氨

  • +

  • 645-48-7

    苯胺基硫脲

  • 4453-80-9

    1,5-diphenyl-3-nitroformazan

  • +

  • 7783-06-4

    氢硫酸

  • +

  • 7664-41-7

    液氨

  • 622-03-7

    二苯基硫代卡巴肼

化学图谱

  1. 二苯基硫代卡巴肼质谱(MS)

  2. 二苯基硫代卡巴肼核磁图(13CNMR)

  3. 二苯基硫代卡巴肼核磁图(1HNMR)

  4. 二苯基硫代卡巴肼红外图谱(IR1)

  5. 二苯基硫代卡巴肼红外图谱(IR2)

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Diphenylthiocarbazide
    Portland OR
    Synonym        Carbonothioic Dihydrazide, 2,2'-diphenyl- (9 CI)    
    Chemical Formula        C6H5NHNHCSNHNHC6H5    
    CAS Number        622-03-7    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Diphenylthiocarbazide        622-03-7        ---------- Not available.        Rat LD50 (oral) 1500mg/kg    
    Mouse LD50 (intraperitoneal)
    200mg/kg

Section III. Hazards Identification
    Acute Health Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Diphenylthiocarbazide

Section VI.        Accidental Release Measures    
    Spill Cleanup        Harmful material. Irritating material.    
    Instructions        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        HARMFUL. IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container    
    and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Solid. (White crystalline powder.)        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        258.34        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Melting Point        155°C (311°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    Not available.
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        FF2800000    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Rat LD50 (oral) 1500mg/kg
    Toxicity Data
    Mouse LD50 (intraperitoneal) 200mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Diphenylthiocarbazide

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification
    On NDSL.
    (Canada)
    EINECS Number (EEC) 210-717-2
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38- Irritating to eyes, respiratory system and skin.
    Japanese Regulatory Data


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:79.52

2、   摩尔体积(cm3/mol):195.3

3、   等张比容(90.2K):562.8

4、   表面张力(dyne/cm):68.9

5、   极化率10-24cm3):31.52

计算化学数据


1.疏水参数计算参考值(XlogP):3.7

2.氢键供体数量:4

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积80.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:223

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

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  • 4453-80-9

    1,5-diphenyl-3-nitroformazan

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    二硫化碳

  • 100-63-0

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  • 14353-52-7

    anilinocarbamodithioic acid

  • 4431-87-2

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下游产品

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  • 645-48-7

    苯胺基硫脲

  • 60-10-6

    铅试剂

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    2-氨基苯并噻唑

  • 17883-57-7

    3-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-one

  • 17883-56-6

    3-苯基-5-[(E)-苯基二氮烯基]-2,3-二氢-1,3,4-噻二唑

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