2510-36-3

• 常用中文名：3,5-二甲基异噁唑-4-羧酸
• 常用英文名：3,5-Dimethyl-1,2-oxazole-4-carboxylic acid
• CAS号：2510-36-3
• 分子式：C₆H₇NO₃
• 分子量：141.125
• 发布时间：2018-08-10 16:32:33
• 更新时间：2024-01-05 16:37:51

名称

• 中文名: 3,5-二甲基异噁唑-4-羧酸
• 英文名: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid
• 中文别名: 3,5-二甲基异恶唑-4-甲酸; 3,5-二甲基异恶唑-4-羧酸; 3,5-二甲基异噁唑-4-甲酸
• 英文别名: dimethyl-1,2-oxazole-4-carboxylic acid; EINECS 219-724-5; 3,5-Dimethylisoxazole-4-carboxylic acid; 4-Isoxazolecarboxylic acid,3,5-dimethyl; 3,5-Dimethyl-4-isoxazolecarboxylic acid; 4-Isoxazolecarboxylic acid, 3,5-dimethyl-; 3,5-Dimethyl-isoxazol-4-carbonsaeure; MFCD00051657; 3,5-Dimethyl-4-isoxazolylcarboxylic acid; 3,5-Dimethylisoxasole-4-carboxylic acid; 3,5-dimethyl-4-carboxylic acid-isoxazole; 3,5-dimethylisoxazolecarboxylic acid; 3,5-Dimethylisoxazole-4-carboxylicacid; 3,5-Dimethyl-1,2-oxazole-4-carboxylic acid

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 301.8±37.0 °C at 760 mmHg
• 熔点: 141-145 °C(lit.)
• 分子式: C₆H₇NO₃
• 分子量: 141.125
• 闪点: 136.3±26.5 °C
• 精确质量: 141.042587
• PSA: 63.33000
• LogP: 0.68
• 外观性状: 淡米色粉末
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.513
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化剂，酸，酸性氧化物和酸酐接触

• 水溶解性: 可溶于：甲醇
• 分子结构:

  1、 摩尔折射率：33.22

  2、 摩尔体积（m³/mol）：110.5

  3、 等张比容（90.2K）：292.8

  4、 表面张力（dyne/cm）：49.2

  5、 极化率（10 ^-24cm ³）：13.17

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:1

  3.氢键受体数量:4

  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63.3

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:148

  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：固体

  2. 密度（g/mL, ,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：140-142

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 30mmHg）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC）：未确定

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（kPa, 0ºC）：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: 3 5-Dimethylisoxazole-4-carboxylic acid Material Safety Data Sheet Synonym: None Known CAS: 2510-36-3 Section 1 - Chemical Product MSDS Name:3 5-Dimethylisoxazole-4-carboxylic acid Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2510-36-3 3,5-Dimethylisoxazole-4-carboxylic aci 98 219-724-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. 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# 2510-36-3: 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: Powder Color: light beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 140 - 142 deg C 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: C6H7NO3 Molecular Weight: 141.0539 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Acids, acid chlorides, acid anhydrides, oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2510-36-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,5-Dimethylisoxazole-4-carboxylic 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 2510-36-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2510-36-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2510-36-3 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): Xi: Irritant;
• 风险声明 (欧洲): 20/21/22
• 安全声明 (欧洲): S24/25
• WGK德国: 3
• 海关编码: 2934999090

合成路线

19788-37-5 ~% 2510-36-3

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

19788-36-4 ~% 2510-36-3

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

10557-82-1 ~% 2510-36-3

文献：J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, p. 1192 - 1196,1170 - 1173

17147-42-1 ~% 2510-36-3

文献：Justus Liebigs Annalen der Chemie, , vol. 277, p. 174

300-87-8 ~% 2510-36-3

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%