2164-33-2

• 常用中文名：2-氯甲基-1,4-苯并二恶烷
• 常用英文名：1,4-Benzodioxin,2-(chloromethyl)-2,3-dihydro-
• CAS号：2164-33-2
• 分子式：C₉H₉ClO₂
• 分子量：184.62000
• 发布时间：2018-07-02 18:08:38
• 更新时间：2024-01-05 14:19:48

名称

• 中文名: 2-氯甲基-1,4-苯并二噁烷
• 英文名: 3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
• 中文别名: 2-氯甲基-1,4-苯并二恶烷
• 英文别名: 2-chloromethyl-1,4-benzodioxan; F2184-0203; 2-chloromethyl-2,3-dihydro-1,4-benzodioxin; 2-Chlormethyl-2,3-dihydro-benzo[1,4]dioxin; MFCD00014666; 2-chloromethyl-2,3-dihydro-benzo[1,4]dioxine; 2-(chloromethyl)-2H,3H-benzo[e]1,4-dioxane; 2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine; 2-Chloromethyl-1,4-benzodioxane; EINECS 218-502-5; 2-chloromethylbenzodioxane(1,4)

物化性质

• 密度: 1.224g/cm3
• 沸点: 96ºC (0.4 torr)
• 分子式: C₉H₉ClO₂
• 分子量: 184.62000
• 精确质量: 184.02900
• PSA: 18.46000
• LogP: 2.06520
• 蒸汽压: 0.0116mmHg at 25°C
• 折射率: 1.554
• 储存条件:

  应贮存于阴凉，干燥的地方。存放于密闭容器中，避免与不相容的物质接触

• 分子结构:

  1、 摩尔折射率：45.56

  2、 摩尔体积（m³/mol）：150.7

  3、 等张比容（90.2K）：385.4

  4、 表面张力（dyne/cm）：42.6

  5、 极化率（10 ^-24cm ³）：18.46

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:0

  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:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:152

  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：无色到黄色液体

  2. 密度（g/mL,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.4mmHg）：96

  7. 折射率（nD20）：1.5540

  8. 闪点（ºC）：96

  9. 比旋光度（）： 未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,100ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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-(Chloromethyl)-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet Synonym: 2-Chloromethyl-1,4-benzodioxan CAS: 2164-33-2 Section 1 - Chemical Product MSDS Name:2-(Chloromethyl)-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet Synonym:2-Chloromethyl-1,4-benzodioxan Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2164-33-2 2-(Chloromethyl)-2,3-dihydro-1,4-benzo 97% 218-502-5 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: 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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. 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# 2164-33-2: 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 96 deg C @0.4mmHg 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: C9H9ClO2 Molecular Weight: 185 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. 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# 2164-33-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxine - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 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# 2164-33-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2164-33-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2164-33-2 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: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S24/25
• 海关编码: 2932999099

合成路线

3663-82-9 ~% 2164-33-2

文献：Farmaco, Edizione Pratica, , vol. 42, # 11 p. 805 - 813

533-58-4 106-89-8 ~72% 2164-33-2

文献：Bhadra, Sukalyan; Adak, Laksmikanta; Samanta, Subhas; Maidul Islam; Mukherjee, Manabendra; Ranu, Brindaban C. Journal of Organic Chemistry, 2010 , vol. 75, # 24 p. 8533 - 8541

96-23-1 120-80-9 ~% 2164-33-2

文献：DE615471 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 22, p. 713 US2056046 , ;

上下游产品

上游产品  5
3663-82-9 533-58-4 106-89-8 96-23-1
120-80-9
下游产品  10
4442-59-5 21398-64-1 2242-31-1 21398-66-3
21398-65-2 59-39-2 102128-81-4 1044-59-3
34274-18-5 114461-88-0

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%