20595-44-2

• 常用中文名：2,3-二氯肉桂酸
• 常用英文名：(2E)-3-(2,3-Dichlorophenyl)acrylic acid
• CAS号：20595-44-2
• 分子式：C₉H₆Cl₂O₂
• 分子量：217.049
• 相关类别： 香精与香料 合成香料 芳香肉桂酸、酯及衍生物
• 发布时间：2018-05-28 08:00:00
• 更新时间：2024-01-09 10:55:54

名称

• 中文名: 2,3-二氯肉桂酸
• 英文名: 2,3-dichlorocinnamic acid
• 中文别名: (E)-3-(2,3-二氯苯基)丙烯酸
• 英文别名: 2-Propenoic acid, 3-(2,3-dichlorophenyl)-, (2E)-; 2,3-dichloro-trans-cinnamic acid; (E)-3-(2,3-dichloro-phenyl)-acrylic acid; 2,3-Dichlor-trans-zimtsaeure; (E)-3-(2,3-Dichlorophenyl)-2-propenoic acid; (E)-3-(2,3-dichlorophenyl)prop-2-enoic acid; (2E)-3-(2,3-Dichlorophenyl)acrylic acid; RARECHEM BK HC T314; MFCD01076352; 3-(2,3-dichlorophenyl)acrylic acid

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 363.0±32.0 °C at 760 mmHg
• 熔点: 229-234ºC
• 分子式: C₉H₆Cl₂O₂
• 分子量: 217.049
• 闪点: 173.3±25.1 °C
• 精确质量: 215.974487
• PSA: 37.30000
• LogP: 3.27
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.638
• 储存条件:

  储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免接触强氧化物

• 分子结构:

  1、 摩尔折射率：53.49

  2、 摩尔体积(m³/mol)：148.9

  3、 等张比容(90.2K)：403.7

  4、 表面张力(dyne/cm)：54.0

  5、 极化率(10-24cm³)：21.20

• 计算化学:

  1、疏水参数计算参考值（XlogP）:3.8

  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：

  6、拓扑分子极性表面积（TPSA）:40.1

  7、重原子数量：13

  8、表面电荷：0

  9、复杂度：210

  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：1

  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）：229-234

  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: 2 3-Dichlorocinnamic acid Material Safety Data Sheet Synonym: CAS: 20595-44-2 Section 1 - Chemical Product MSDS Name:2 3-Dichlorocinnamic acid Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20595-44-2 2,3-Dichlorocinnamic acid unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. 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: 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 water spray, dry chemical, carbon dioxide, or chemical 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. Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 20595-44-2: 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: Solid or liquid Color: Not available. 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: C9H6Cl2O2 Molecular Weight: 217.1 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20595-44-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,3-Dichlorocinnamic acid - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 20595-44-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20595-44-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20595-44-2 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: 防止化学品进入地面或排水系统

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2916399090

合成路线

110-89-4 6334-18-5 ~92% 20595-44-2

文献：Geron Corporation Patent: US5863936 A1, 1999 ;

141-82-2 6334-18-5 ~% 20595-44-2

文献：Chemical Biology and Drug Design, , vol. 81, # 2 p. 275 - 283

108-24-7 6334-18-5 ~% 20595-44-2

文献：Monatshefte fuer Chemie, , vol. 90, p. 683,687

608-27-5 79-10-7 ~% 20595-44-2

文献：Arkiv foer Kemi, , vol. 13, p. 127,129

上下游产品

上游产品  6
110-89-4 6334-18-5 141-82-2 108-24-7
608-27-5 79-10-7
下游产品  2
69392-64-9 57915-79-4

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%