73713-79-8

• 常用中文名：2,1,3-苯并噻二唑-4-磺酰氯
• 常用英文名：2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
• CAS号：73713-79-8
• 分子式：C₆H₃ClN₂O₂S₂
• 分子量：234.683
• 发布时间：2018-10-14 15:27:35
• 更新时间：2024-01-10 08:00:27
• 下载msds

名称

• 中文名: 苯并[1,2,5]噻二唑-4-磺酰氯
• 英文名: 2,1,3-benzothiadiazole-4-sulfonyl chloride
• 中文别名: 2,1,3-苯并噻二唑-4-磺酰氯
• 英文别名: MFCD00068049; 2,1,3-Benzothiadiazole-4-sulphonyl chloride; 2,4-DICHLOROBIPHENYL; 4-Chlorosulfonyl-2,1,3-benzothiadiazole; 2,1,3-benzothiadiazole-4-sulfonylchloride; Benzo-2,1,3-thiadiazole-4-sulphonyl chloride; Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride; 2,1,3-Benzothiadiazole-4-sulfonyl chloride; benzo[1,2,5]thiadiazole-4-sulfonyl chloride; T56 BNSNJ FSWG; benzo[2,1,3]thiadiazole-4-sulfonyl chloride; 2,1,3-Benzothiadiazole,4-chlorosulfonyl; 2,1,3-Benzothiadiazole, 4-chlorosulfonyl-; Benzo-2,1,3-thiadiazole-4-sulfonyl chloride; 2,1,3-Benzothiadiazol-4-sulfonyl chloride

物化性质

• 密度: 1.7±0.1 g/cm3
• 沸点: 359.4±15.0 °C at 760 mmHg
• 熔点: 148 °C
• 分子式: C₆H₃ClN₂O₂S₂
• 分子量: 234.683
• 闪点: 171.2±20.4 °C
• 精确质量: 233.932449
• PSA: 96.54000
• LogP: 1.75
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.684
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须上锁，钥匙必须交给技术专家和他们的助手保管。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物，碱。

• 分子结构:

  1、 摩尔折射率：51.69

  2、 摩尔体积（m³/mol）：136.1

  3、 等张比容（90.2K）：403.0

  4、 表面张力（dyne/cm）：76.8

  5、 极化率（10 ^-24cm ³）：20.49

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积96.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:290

  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

• 更多:

  1. 性状：固体。

  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）：148

  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：未确定。

MSDS

Name: 2 1 3-Benzothiadiazole-4-sulfonyl chloride 97% Material Safety Data Sheet Synonym: CAS: 73713-79-8 Section 1 - Chemical Product MSDS Name:2 1 3-Benzothiadiazole-4-sulfonyl chloride 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 73713-79-8 2,1,3-Benzothiadiazole-4-sulfonyl chlo 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. 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: Do not induce vomiting. Get medical aid immediately. 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: 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 foam, dry chemical, or carbon dioxide. 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: 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. Corrosives area. Store under an inert atmosphere. 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# 73713-79-8: 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: Solid Color: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 147 - 150 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: C6H3ClN2O2S2 Molecular Weight: 235 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, bases, alcohols, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 73713-79-8: DL0100000 LD50/LC50: Not available. Carcinogenicity: 2,1,3-Benzothiadiazole-4-sulfonyl chloride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 73713-79-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 73713-79-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 73713-79-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：小鼠（静脉）LD50：56mg/kg 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : DL0100000 CHEMICAL NAME : 2,1,3-Benzothiadiazole, 4-chlorosulfonyl- CAS REGISTRY NUMBER : 73713-79-8 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C6-H3-Cl-N2-O2-S2 MOLECULAR WEIGHT : 234.68 WISWESSER LINE NOTATION : T56 BNSNJ FSWG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05519

安全

• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 3261
• RTECS号: DL0100000
• 包装等级: III
• 危险类别: 8
• 海关编码: 2934999090

合成路线

127720-92-7 ~65% 73713-79-8

文献：Belen'kaya, I. A.; Shulla, T. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1989 , vol. 25, # 11 p. 1303 - 1307 Khimiya Geterotsiklicheskikh Soedinenii, 1989 , # 11 p. 1555 - 1558

273-13-2 ~71% 73713-79-8

文献：Dorogov, Mikhail V.; Filimonov, Sergey I.; Kobylinsky, Dmitry B.; Ivanovsky, Sergey A.; Korikov, Pavel V.; Soloviev, Mikhail Y.; Khahina, Maria Y.; Shalygina, Elena E.; Kravchenko, Dmitry V.; Ivachtchenko, Alexandre V. Synthesis, 2004 , # 18 p. 2999 - 3004

127720-86-9 ~71% 73713-79-8

文献：Belen'kaya, I. A.; Shulla, T. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1989 , vol. 25, # 11 p. 1303 - 1307 Khimiya Geterotsiklicheskikh Soedinenii, 1989 , # 11 p. 1555 - 1558

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%