3663-81-8

• 常用中文名：2,3-二氢-1,4-苯并二恶烷-2-羰酰氯
• 常用英文名：2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride
• CAS号：3663-81-8
• 分子式：C₉H₇ClO₃
• 分子量：198.60300
• 发布时间：2018-12-27 20:59:10
• 更新时间：2024-01-02 19:06:37
• 下载msds

名称

• 中文名: 2,3-二氢-1,4-苯并二英-2-碳酰氯
• 英文名: 2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride
• 中文别名: 2,3-二氢-1,4-苯并二恶烷-2-羰酰氯
• 英文别名: 2-benzodioxanylcarbonyl chloride; 1,4-benzodioxane-2-carbonyl chloride; 1,4-BENZODIOXAN-2-CARBONYL CHLORIDE; benzodioxane-2-carboxylic acid; chlorure del' acide benzodioxanne carboxylique-2; BUTTPARK 364-48

物化性质

• 密度: 1.374g/cm3
• 沸点: 279.9ºC at 760mmHg
• 熔点: 56-59ºC
• 分子式: C₉H₇ClO₃
• 分子量: 198.60300
• 闪点: 123.2ºC
• 精确质量: 198.00800
• PSA: 35.53000
• LogP: 1.59180
• 折射率: 1.556
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  分子性质数据：

  1、 摩尔折射率：46.44

  2、 摩尔体积（m³/mol）：144.4

  3、 等张比容（90.2K）：375.2

  4、 表面张力（dyne/cm）：45.5

  5、 极化率（10 ^-24cm ³）：18.41

• 计算化学:

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:207

  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:1

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点mp（ºC）：不确定

  5. 沸点（ºC,常压）：不确定

  6. 沸点bp（ºC, 50mm ）：不确定

  7. 折射率：不确定

  8. 闪点fp（ºC）： 不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 2 3-Dihydro-1 4-benzodioxine-2-carbonyl chloride 97% Material Safety Data Sheet Synonym: 1,4-Benzodioxan-2-carbonyl chlorid CAS: 3663-81-8 Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1 4-benzodioxine-2-carbonyl chloride 97% Material Safety Data Sheet Synonym:1,4-Benzodioxan-2-carbonyl chlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3663-81-8 2,3-Dihydro-1,4-benzodioxine-2-carbony 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 nitrogen. 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# 3663-81-8: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C9H7ClO3 Molecular Weight: 199 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, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3663-81-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride - 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, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 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# 3663-81-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3663-81-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3663-81-8 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: UN 3261
• 海关编码: 2932999099

合成路线

3663-80-7 ~99% 3663-81-8

文献：FENG, Yangbo; LOGRASSO, Philip; BANNISTER, Thomas; SCHROETER, Thomas; FANG, Xingang; YIN, Yan; CHEN, Yen Ting; SESSIONS, Hampton; CHOWDHURY, Sarwat; LUO, Jun-Li; VOJKOVSKY, Tomas Patent: WO2010/56758 A1, 2010 ; Location in patent: Page/Page column 50-51 ; WO 2010/056758 A1

3663-79-4 ~% 3663-81-8

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 24, # 7 p. 1766 - 1770

4739-94-0 ~% 3663-81-8

文献：Farmaco, , vol. 44, # 11 p. 1109 - 1117

上下游产品

上游产品  3
3663-80-7 3663-79-4 4739-94-0
下游产品  5
70918-74-0 309923-57-7 89483-71-6 89483-72-7
53491-25-1

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 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	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%