623-12-1

• 常用中文名：4-氯苯甲醚
• 常用英文名：1-Chloro-4-methoxybenzene
• CAS号：623-12-1
• 分子式：C₇H₇ClO
• 分子量：142.583
• 相关类别： 化学试剂 有机试剂 醚类
• 发布时间：2018-02-17 08:00:00
• 更新时间：2024-01-02 18:57:53
• 【用途一】
  2-甲基-4-氯苯酚是植物生长调节剂调果酸的中间体。

名称

• 中文名: 4-氯苯甲醚
• 英文名: 4-Chloroanisole
• 中文别名: 对氯苯甲醚; 对氯茴香醚; 1-氯-4-甲氧基苯
• 英文别名: 4-Chloroanisole; MFCD00000616; 1-Chloro-4-methoxybenzene; EINECS 210-772-2; p-Anisyl chloride; Benzene, 1-chloro-4-methoxy-; Anisole, p-chloro-; 4-Monochloroanisole; 4-Chlorophenyl methyl ether; Anisyl chloride; P-CHLOROANISOLE

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 184.4±13.0 °C at 760 mmHg
• 熔点: −18 °C(lit.)
• 分子式: C₇H₇ClO
• 分子量: 142.583
• 闪点: 78.3±0.0 °C
• 精确质量: 142.018539
• PSA: 9.23000
• LogP: 2.82
• 外观性状: 无色液体
• 蒸汽压: 1.0±0.3 mmHg at 25°C
• 折射率: 1.515
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物。

• 水溶解性: immiscible
• 分子结构:

  1、 摩尔折射率：37.82

  2、 摩尔体积（cm³/mol）：125.3

  3、 等张比容（90.2K）：299.8

  4、 表面张力（dyne/cm）：32.6

  5、 极化率（10^-24cm³）：14.99

• 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:1

  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9.2

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:77

  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。

  2. 密度（g/mL,25/4℃）：1.164

  3. 相对密度（20℃，4℃）：1.201

  4. 熔点（ºC）：-18

  5. 沸点（ºC,常压）：197.5

  6. 常温折射率（n²⁰）：1.5370

  7. 折射率：1.535

  8. 闪点（ºC）：78

  9. 常温折射率（n²⁵）：1.5338

  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：不能溶于水。

MSDS

Name: 4-Chloroanisole 99% Material Safety Data Sheet Synonym: 1-Chloro-4-Methoxybenzene CAS: 623-12-1 Section 1 - Chemical Product MSDS Name:4-Chloroanisole 99% Material Safety Data Sheet Synonym:1-Chloro-4-Methoxybenzene Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 623-12-1 4-Chloroanisole 99% 210-772-2 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. 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. May cause central nervous system depression. Inhalation: May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Effects may be delayed. 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. 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray to cool fire-exposed containers. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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 sources of ignition. 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: 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# 623-12-1: 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: Liquid Color: light yellow or yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 198 - 202 deg C @ 760.00mmHg Freezing/Melting Point: 18 deg C Autoignition Temperature: Not applicable. Flash Point: 78 deg C ( 172.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: immiscible Specific Gravity/Density: 1.1640g/cm3 Molecular Formula: C7H7ClO Molecular Weight: 142.58 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: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 623-12-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chloroanisole - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. 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# 623-12-1: No information available. Canada CAS# 623-12-1 is listed on Canada's NDSL List. CAS# 623-12-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 623-12-1 is listed on the TSCA inventory. 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

• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn: Harmful;
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: UN 2810
• WGK德国: 3
• 海关编码: 29093090

合成路线

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制备

以2-甲基苯酚为原料，用氯化硫氯化，在25～30℃反应得产品。

海关

海关编码	2909309090
中文概述	2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%