14933-76-7

• 常用中文名：3-乙基-2-甲基苯并唑对甲基苯磺酸酯
• 常用英文名：3-ethyl-2-methylbenzothiazolium p-toluenesulfonate
• CAS号：14933-76-7
• 分子式：C₁₇H₁₉NO₃S₂
• 分子量：349.46800
• 相关类别： 化学试剂 有机试剂 甲苯磺酸酯
• 发布时间：2018-12-28 19:06:06
• 更新时间：2024-01-04 16:24:10

名称

• 中文名: 3-乙基-2-甲基苯并唑对甲基苯磺酸酯
• 英文名: 3-ethyl-2-methylbenzothiazolium p-toluenesulfonate
• 中文别名: 3-乙基-2-甲基苯并噻唑对甲苯磺酸酯
• 英文别名: 3-ethyl-2-methylbenzothiazol-3-ium tosylate; 3-Ethyl-2-methylbenzoxazolium p-Toluenesulfonate; 3-ethyl-2-methylbenzothiazolium 4-toluenesulfonate; 3-Aethyl-2-methyl-benzothiazolium,Toluol-4-sulfonat; 2-methyl-3-ethyl-benzothiazolium tosylate; 3-ETHYL-2-METHYLBENZOTHIAZOLINIUM P-TOLUE-NESULFATE; EINECS 239-007-0; 3-ethyl-2-methyl-benzothiazoliusaltwith4-methylbenzenesulfonicacid(1:1; 3-ethyl-2-methyl-benzothiazolium,toluene-4-sulfonate; 3-ethyl-2-methylbenzothiazolium p-toluenesulphonate; 3-ethyl-2-methyl-benzothiazolium p-toluenesulfonate; 3-Ethyl-2-methylbenzothiazolium p-toluensulfonate; {CH3C7H4SNC2H5}{O3SC6H4CH3-p}

物化性质

• 密度: 1.2505 (rough estimate)
• 熔点: 155ºC
• 分子式: C₁₇H₁₉NO₃S₂
• 分子量: 349.46800
• 精确质量: 349.08100
• PSA: 97.70000
• LogP: 4.49700
• 折射率: 1.7000 (estimate)
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：349.080633 Da

  8、标称质量：349 Da

  9、平均质量：349.4677 Da

• 计算化学:

  1、疏水参数计算参考值（XlogP）：3.2

  2、氢键供体数量：0

  3、氢键受体数量：0

  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）；3.9

  7、重原子数量：12

  8、表面电荷：1

  9、复杂度：160

  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：未确定

  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）;155

  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: 3-Ethyl-2-Methylbenzothiazolinium P-Toluenesulfonate (Pract) 98% Material Safety Data Sheet Synonym: CAS: 14933-76-7 Section 1 - Chemical Product MSDS Name:3-Ethyl-2-Methylbenzothiazolinium P-Toluenesulfonate (Pract) 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 14933-76-7 Benzothiazolium, 3-Ethyl-2-Methyl-, Sa 239-007-0 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Dust is irritating to the respiratory tract. May cause respiratory tract irritation. Chronic: No information found. 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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: 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 14933-76-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 155 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: C17H19NO3S2 Molecular Weight: 349.46 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nickel oxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 14933-76-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzothiazolium, 3-Ethyl-2-Methyl-, Salt with 4-Methylbenzene - 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 Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: II IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: II RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: II 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 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 14933-76-7: No information available. Canada CAS# 14933-76-7 is listed on Canada's NDSL List. CAS# 14933-76-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 14933-76-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26;S28
• 海关编码: 2934999090

合成路线

120-75-2 80-40-0 ~% 14933-76-7

文献：Oliveira, Anabela S.; Almeida, Paulo; Ferreira, Luis Filipe Vieira Collection of Czechoslovak Chemical Communications, 1999 , vol. 64, # 3 p. 459 - 473

120-75-2 104-15-4 80-40-0 ~99% 14933-76-7

文献：Hoechst Aktiengesellschaft Patent: US4966828 A1, 1990 ;

上下游产品

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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%