20595-44-2
20595-44-2结构式
- 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
| 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 |
| 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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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 |
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生态学数据: 防止化学品进入地面或排水系统
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| 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 |
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20595-44-2 |
| 文献：Geron Corporation Patent: US5863936 A1, 1999 ; |
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| 文献：Chemical Biology and Drug Design, , vol. 81, # 2 p. 275 - 283 |
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| 文献：Monatshefte fuer Chemie, , vol. 90, p. 683,687 |
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20595-44-2 |
| 文献：Arkiv foer Kemi, , vol. 13, p. 127,129 |
| 上游产品 6 | |
|---|---|
| 下游产品 2 | |
| 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% |