中文名 | 3-甲基-1H-吡唑-5-羧肼 |
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英文名 | 5-Methyl-1H-pyrazole-3-carboxylic acid hydrazide |
中文别名 |
5-甲基-1-H-吡唑-3-羧肼
3-甲基-1H-吡唑-5-羧酸肼 5-甲基-2-H-吡唑-3-羧肼 |
英文别名 |
5-Methyl-1H-pyrazole-3-carbohydrazide
MFCD03423274 |
密度 | 1.337g/cm3 |
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熔点 | 157 °C |
分子式 | C5H8N4O |
分子量 | 140.14300 |
精确质量 | 140.07000 |
PSA | 83.80000 |
LogP | 0.41280 |
折射率 | 1.605 |
储存条件 | 2-8℃ |
分子结构 | 1、 摩尔折射率:36.12 2、 摩尔体积(cm3/mol):104.7 3、 等张比容(90.2K):301.0 4、 表面张力(dyne/cm):68.1 5、 极化率(10-24cm3):14.32 |
计算化学 | 1.疏水参数计算参考值(XlogP):-0.5 2.氢键供体数量:3 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:11 6.拓扑分子极性表面积83.8 7.重原子数量:10 8.表面电荷:0 9.复杂度:138 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(°C):157 |
Synonym:3-Methylpyrazole-5-carboxic acid hydrazid 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# 40535-14-6: 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 crystalline solid Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 156 - 158 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: C5H8N4O Molecular Weight: 140 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 40535-14-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Methyl-1H-pyrazole-5-carbohydrazide - 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# 40535-14-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40535-14-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40535-14-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
符号 |
GHS07 |
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信号词 | Warning |
危害声明 | H302 |
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 |
危险品运输编码 | NONH for all modes of transport |
海关编码 | 2933199090 |
~% 40535-14-6 |
文献:Dewar; King Journal of the Chemical Society, 1945 , p. 114 Full Text Show Details Musante; Mugnaini Gazzetta Chimica Italiana, 1947 , vol. 77, p. 182,193 |
~% 40535-14-6 |
文献:Musante; Mugnaini Gazzetta Chimica Italiana, 1947 , vol. 77, p. 182,193 |
~% 40535-14-6 |
文献:Musante; Mugnaini Gazzetta Chimica Italiana, 1947 , vol. 77, p. 182,193 |
~% 40535-14-6 |
文献:Dewar; King Journal of the Chemical Society, 1945 , p. 114 |
上游产品 4 | |
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下游产品 0 |
海关编码 | 2933199090 |
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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% |