硫代苯磺酸 钠盐

硫代苯磺酸 钠盐 基本信息
CAS号 1887-29-2 分子式 C6H5NaO2S2
分子量 196.22200 精确质量  195.96300
PSA  80.60000 LogP  2.43850

基本信息 展开↓

CAS号:
1887-29-2
3D弹球模型:
立即前往扯扯看
分子式:
C6H5NaO2S2
分子量:
196.22200
中文名称:
硫代苯磺酸 钠盐
英文名称:
sodium,oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
中文别名:
硫代苯磺酸 钠盐;
苯硫羰基磺酸钠盐
英文别名:
sodium,oxido-oxo-phenyl-sulfanylidene-λ6-sulfane;
sodium phenylthiosulfonate;
Benzenethiosulfonic acid;
sodium benzenesulfonothioate;
benzenethiosulfonic acid,sodium-salt;
sodium benzenethiolsulfonate;
Benzolthiosulfonsaeure,Natrium-Salz;
Sodium thiobenzosulfonate;
Benzenethionosulfonic acid sodium salt;
Sodium benzenethiosulfonate;
Benzene sulfonic acid,thio-,sodium salt;
Benzenesulfonothioic acid,sodium salt;
Sodium benzene thiosulphonate
精确分子量/精确质量:
195.96300
极性分子表面积/PSA:
80.60000
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。
贝尔斯坦号/MDL:
MFCD00145297
EINECS:
217-558-8
PubChem:
24864056
InChI:
The Key: BZHOWMPPNDKQSQ-UHFFFAOYSA-M

生产制备方法及用途展开↓

制备方法


其制备方法是由苯磺酰氯与硫化钠反应,即可合成硫代苯磺酸钠。将一定量的水和粉碎成小颗粒状的60%硫化钠加入搪瓷反应釜中,再加入甲苯,在30~40℃下将98%的苯磺酸氯于2h内滴入,然后在50~55℃保温2h,在70℃保温1h,减压浓缩至干,得到硫代苯磺酸钠和氯化钠的混合物,硫代苯磺酸钠的含量为64.8%。此反应中的原料硫化钠也可用硫氢化钠代替。此外,也可用苯亚磺酸钠与硫磺反应制得硫代苯磺酸钠。反应方程式见图

合成制备方法


由苯磺酰氯与硫化钠反应,即可合成硫代苯磺酸钠

也可用苯亚磺酸钠与硫磺反应制得硫代苯磺酸钠

用途简介


硫代苯磺酸钠是一种农药中间体,主要用于合成沙蚕毒类杀虫剂杀虫磺。

用途


农药中间体,主要用于合成沙蚕毒类杀虫剂杀虫磺

物化性质展开↓

熔点:
275ºC (dec.)(lit.)
沸点:
335.4ºC at 760mmHg
闪点:
156.7ºC
折射率:
1.655
蒸汽压:
4.72E-05mmHg at 25°C
存储条件/存储方法:

密闭,通风处干燥保存,

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:白色结晶

2.       密度(g/mL at 25 °C:未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):275

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,12mmHg):未确定

7.       折射率(n20/D):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(hPa,37.7ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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:溶于水

安全信息展开↓

海关代码:
2930909090
WGK_Germany:
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 873-55-2

    苯亚磺酸钠

  • ~99%

  • 1887-29-2

    硫代苯磺酸 钠盐

  • 515-42-4

    苯磺酸钠

  • +

  • 7704-34-9

    硫磺

  • ~90%

  • 1887-29-2

    硫代苯磺酸 钠盐

化学图谱

  1. 苯硫羰基磺酸钠盐核磁图(13CNMR)

  2. 苯硫羰基磺酸钠盐核磁图(1HNMR)

  3. 苯硫羰基磺酸钠盐红外图谱(IR1)

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MSDS 展开↓

Name: Benzenethionosulfonic acid sodium salt Material Safety Data Sheet
Synonym:
CAS: 1887-29-2
Section 1 - Chemical Product   MSDS Name:Benzenethionosulfonic acid sodium salt Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1887-29-2 Benzenethionosulfonic acid, sodium sal 217-558-8
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1887-29-2: Personal Protective Equipment Eyes: Not available.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 275 deg C(decom)
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: C6H5NaO2S2
Molecular Weight: 196.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1887-29-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzenethionosulfonic acid, sodium salt - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1887-29-2: No information available.
Canada
CAS# 1887-29-2 is listed on Canada's NDSL List.
CAS# 1887-29-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1887-29-2 is listed on the TSCA inventory.


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:无可用
  2. 摩尔体积(m3/mol):无可用
  3. 等张比容(90.2K):无可用
  4. 表面张力(dyne/cm):无可用
  5. 介电常数(F/m):无可用
  6. 偶极距(D):无可用
  7. 极化率(10-24cm3):无可用

计算化学数据


1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):37.3

7、   重原子数量:11

8、   表面电荷:0

9、   复杂度:200

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:2

上下游相关产品

上游产品

更多
  • 873-55-2

    苯亚磺酸钠

  • 515-42-4

    苯磺酸钠

  • 7704-34-9

    硫磺

下游产品

更多
  • 4388-22-1

    双(苯磺酰)硫醚

  • 1125-25-3

    苯硫代磺酸-S-甲基酯

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