274-09-9

• 常用中文名：1,2-亚甲二氧基苯
• 常用英文名：1,3-Benzodioxole
• CAS号：274-09-9
• 分子式：C₇H₆O₂
• 分子量：122.121
• 相关类别： 有机原料 烃类化合物及其衍生物 芳香烃
• 发布时间：2018-05-31 08:00:00
• 更新时间：2024-01-02 21:02:19
• 【用途一】
  用作重要的香料、医药及农药中间体
  【用途二】
  有机合成中间体。用于合成黄连素。
  【用途三】
  有机合成中间体。用于合成黄连素

名称

• 中文名: 1,3-苯并间二氧杂环戊烯
• 英文名: 1,3-benzodioxole
• 中文别名: 1,3-苯并二氧五环; 胡椒环; 甲撑二氧基苯; 1,3-苯并二噁茂; 1,3-苯并恶烷; 儿茶酚次甲醚; 1,3-苯并二氧杂茂; 1,2-亚甲二氧基苯
• 英文别名: MFCD00005818; EINECS 205-992-0; Methylenedioxy benzene; 1,3-Benzodioxole; 1,2-Methylenedioxybenzene; 3,4-Methylenedioxybenzene; T56 BO DO CHJ; Benzo[d][1,3]dioxole; 1,2-(Methylenedioxy)benzene; 1,3-benzodioxolan; Methylenedioxybenzene; 1,3-Dioxindan; 1,3-Dioxaindan; Benzodioxole; Paroxetine Impurity 12

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 173.0±15.0 °C at 760 mmHg
• 熔点: -18 °C
• 分子式: C₇H₆O₂
• 分子量: 122.121
• 闪点: 55.0±0.0 °C
• 精确质量: 122.036781
• PSA: 18.46000
• LogP: 2.08
• 外观性状: 透明无色至淡黄色液体
• 蒸汽压: 1.7±0.3 mmHg at 25°C
• 折射率: 1.558
• 储存条件:

  本品应密封保存

• 稳定性:

  1. 存在于烟气中。

• 水溶解性: 0.2 g/100 mL (25 ºC)
• 分子结构:

  1、 摩尔折射率：32.41

  2、 摩尔体积（cm³/mol）：100.6

  3、 等张比容（90.2K）：262.6

  4、 表面张力（dyne/cm）：46.4

  5、 极化率：12.84

  6、 介电常数：未确定

• 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:2

  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18.5

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:91.1

  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：无色液体，有机合成。

  2. 密度（g/mL,25/4℃）：1.064g/mL at 25 ° C 3. 相对蒸汽密度（g/mL,空气=1）：1.064（20/4℃）

  4. 熔点（ºC）：：-18℃

  5. 沸点（ºC,常压）：173~175， 77ºC(3599pa)

  6. 折射率（n20D） ：1.539

  7. 闪点（ºC）：55

  8. 蒸气压（kPa,25ºC）：12毫米汞柱

MSDS

Name: ]1,3-Benzodioxole, 99% Material Safety Data Sheet Synonym: 1,2-(Methylenedioxy)benzene; 1,3-Dioxaindane CAS: 274-09-9 Section 1 - Chemical Product MSDS Name: ]1,3-Benzodioxole, 99% Material Safety Data Sheet Synonym: 1,2-(Methylenedioxy)benzene; 1,3-Dioxaindane SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 274-09-9 1,3-Benzodioxole 99.0 205-992-0 Hazard Symbols: XN Risk Phrases: 10 22 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Harmful if swallowed. Potential Health Effects Eye: May cause chemical conjunctivitis and corneal damage. Skin: May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression. Inhalation: Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest. 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. 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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: 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate to extinguish fire. Do NOT use straight streams of water. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. A vapor suppressing foam may be used to reduce vapors. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 274-09-9: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear slightly yellow Odor: None reported. pH: Not available. Vapor Pressure: 12 mmHg @ 25 C Viscosity: Not available. Boiling Point: 172.0 - 173.0 deg C @ 760.00m Freezing/Melting Point: -18.00 - -0.00 deg C Autoignition Temperature: Not available. Flash Point: 55 deg C ( 131.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: 0.2% (25 c) Specific Gravity/Density: 1.0640g/cm3 Molecular Formula: C7H6O2 Molecular Weight: 122.12 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 274-09-9: DA5600000 LD50/LC50: CAS# 274-09-9: Oral, mouse: LD50 = 1220 mg/kg; Oral, rat: LD50 = 580 mg/kg. Carcinogenicity: 1,3-Benzodioxole - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. SECTION 12 - ECOLOGICAL INFORMATION Other No information available. SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. SECTION 14 - TRANSPORT INFORMATION IATA Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing Group: III IMO Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3.3 UN Number: 1993 Packing Group: III RID/ADR Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing group: III SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 10 Flammable. R 22 Harmful if swallowed. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 33 Take precautionary measures against static discharges. WGK (Water Danger/Protection) CAS# 274-09-9: No information available. Canada CAS# 274-09-9 is listed on Canada's NDSL List. CAS# 274-09-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 274-09-9 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 9/02/1997 Revision #4 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DA5600000 CHEMICAL NAME : Benzene, 1,2-methylenedioxy- CAS REGISTRY NUMBER : 274-09-9 BEILSTEIN REFERENCE NO. : 0115506 LAST UPDATED : 199803 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C7-H6-O2 MOLECULAR WEIGHT : 122.13 WISWESSER LINE NOTATION : T56 BO DO CHJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 580 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - excitement REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1220 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Skin and Appendages - hair REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 15 gm/kg/60D-I TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302 + H332
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R10;R22
• 安全声明 (欧洲): S23-S24/25-S36/37/39-S26-S16
• 危险品运输编码: UN 1993 3/PG 3
• WGK德国: 3
• RTECS号: DA5600000
• 包装等级: III
• 危险类别: 3
• 海关编码: 29329970

合成路线

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制备

由儿茶酚经环合而得。先将儿茶酚溶于二甲基亚砜（DMSO）中，再将氢氧化钠溶于剩余的二甲基亚砜中，并加入二氯甲烷，搅拌、加热回流，待温度升至95℃时，滴加儿茶酚二甲基亚砜溶液，保持回流温度在95-110℃。滴加完毕，在110-115℃保温搅拌1h。然后于130℃进行水蒸气蒸馏，98℃以下的低沸点馏分供下批套用，收集98-110℃正馏分，静置后分出油层，即得胡椒环，收率85%

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%