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| 中文名 | 1,3,5-三甲基-1H-吡唑-4-甲酸 |
|---|---|
| 英文名 | 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid |
| 中文别名 | 1,3,5-三甲基-1H-吡唑-4-羧酸 |
| 英文别名 |
1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl- 1,3,5-trimethylpyrazole-4-carboxylic acid MFCD00159648 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 297.6±35.0 °C at 760 mmHg |
| 熔点 | 215-217°C |
| 分子式 | C7H10N2O2 |
| 分子量 | 154.167 |
| 闪点 | 133.8±25.9 °C |
| 精确质量 | 154.074234 |
| PSA | 55.12000 |
| LogP | 1.18 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.565 |
| 储存条件 | 室温，干燥 |
| 分子结构 | 1、 摩尔折射率：40.41 2、 摩尔体积（cm3/mol）：124.0 3、 等张比容（90.2K）：312.4 4、 表面张力（dyne/cm）：40.2 5、 极化率（10-24cm3）：16.02 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.6 2.氢键供体数量:1 3.氢键受体数量:3 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55.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:172 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.熔点（ºC）：215-217 |
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: 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# 1125-29-7: 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 Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 215 - 217 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: C7H10N2O2 Molecular Weight: 154 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1125-29-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3,5-Trimethyl-1H-pyrazole-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 No information available. IMO No information available. RID/ADR No information available. 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# 1125-29-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1125-29-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1125-29-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2933199090 |
|
~92%
1125-29-7 |
| 文献：Russian Chemical Bulletin, , vol. 61, # 6 p. 1148 - 1153 Izv. Akad. Nauk, Ser. Khim., , vol. 61, # 6 p. 1139 - 1143,5 |
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1125-29-7 |
| 文献：Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60 |
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1125-29-7 |
| 文献：Synthesis, , # 9 p. 753 - 755 |
|
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1125-29-7 |
| 文献：Synthesis, , # 9 p. 753 - 755 |
| 上游产品 4 | |
|---|---|
| 下游产品 0 | |
| 海关编码 | 2933199090 |
|---|---|
| 中文概述 | 2933199090. 其他结构上有非稠合吡唑环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
