3-氯-1,2-苯并异噻唑-1,1-二氧化物

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

3-氯-1,2-苯并异噻唑-1,1-二氧化物 基本信息

中文名称:
3-氯-1,2-苯并异噻唑-1,1-二氧化物 
中文别名:
3-氯-1,2-苯并异噻唑-1,1-二氧化物;
3-氯-1,2-苯并噻唑 1,1-二氧化物 
英文名称:
1,2-Benzisothiazole,3-chloro-, 1,1-dioxide
英文别名:
3-chloro-1,2-benzothiazole 1,1-dioxide;
1,2-Benzisothiazole,3-chloro-,1,1-dioxide;
pseudosaccharyl chloride;
3-Chloro-1,2-benzoisothiazole-1,1-dioxide;
3-chloro-1,2-benzisothiazole-1,1-dioxide;
Pseudosaccharin chloride;
3-Chloro-benzo[d]isothiazole 1,1-dioxide 
CAS No.:
567-19-1
分 子 式:
C7H4ClNO2S
分 子 量:
0
精确分子量:
200.96500
PSA:
54.88000
InChI:
The Key: VBEJRJPHNPIURV-UHFFFAOYSA-N
分子结构式:
SDS:
查看

3-氯-1,2-苯并异噻唑-1,1-二氧化物 制备方法及用途

制备方法

其制备方法是将糖精置于反应釜中,加入溶剂及DMF为催化剂,再加入氯化亚砜,加热回流,反应数小时,然后冷却,再蒸去剩余的氯化亚砜和溶剂,得到成品。 氯化剂也可用光气、三氯化磷等。

合成制备方法

其制备方法是将糖精置于反应釜中,加入溶剂及DMF为催化剂,再加入氯化亚砜,加热回流,反应数小时,然后冷却,再蒸去剩余的氯化亚砜和溶剂,得到成品。
氯化剂也可用光气、三氯化磷等。

用途简介

3-氯-1,2-苯并异噻唑-1,1-二氧化物是杀菌剂烯丙苯噻唑的中间体。

用途

3-氯-1,2-苯并异噻唑-1,1-二氧化物是杀菌剂烯丙苯噻唑的中间体。

3-氯-1,2-苯并异噻唑-1,1-二氧化物 物化性质

外观与性状:
无色固体
密度:
1.64g/cm3
沸点:
377.1ºC at 760mmHg
闪点:
181.9ºC
折射率:
1.695
稳定性相关:

本品为无色固体,m.p.143~145℃,不溶于水,溶于二氯乙烷、甲苯等溶剂。

3-氯-1,2-苯并异噻唑-1,1-二氧化物 安全信息

海关代码:
2934991000

3-氯-1,2-苯并异噻唑-1,1-二氧化物 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      3-Chloro-benzo[d]isothiazole 1,1-dioxide    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        3-Chloro-benzo[d]isothiazole 1,1-dioxide    
    CAS number:        567-19-1    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C7H4ClNO2S    
    Molecular weight:        201.6    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氯-1,2-苯并异噻唑-1,1-二氧化物 海关数据

中国海关编码:2934991000

概述:
2934991000. 磺内酯及磺内酰胺. 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:
2934991000. sultones and sultams. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-氯-1,2-苯并异噻唑-1,1-二氧化物 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:47.11

2、  摩尔体积(cm3/mol):122.4

3、  等张比容(90.2K):344.7

4、  表面张力(dyne/cm):62.7

5、  极化率(10-24cm3):18.67

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积54.9

7.重原子数量:12

8.表面电荷:0

9.复杂度:317

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

3-氯-1,2-苯并异噻唑-1,1-二氧化物 上游产品

3-氯-1,2-苯并异噻唑-1,1-二氧化物 表征图谱

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范德(北京)生物科技有限责任公司

产品介绍:
产品名称:567-19-1 Cas号:567-19-1 纯度:97% 包装信息:10 g 价格:11,823.0元
联系方式:
联系人:王 电话:15911056312 手机:15911056312