2644-93-1

• 常用中文名：1,3,5-三甲基-1H-吡唑-4-甲醛
• 常用英文名：1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde
• CAS号：2644-93-1
• 分子式：C₇H₁₀N₂O
• 分子量：138.167
• 发布时间：2018-11-28 21:28:01
• 更新时间：2024-01-03 08:13:51
• 下载msds

名称

• 中文名: 1,3,5-三甲基-1H-吡唑-4-甲醛
• 英文名: 1,3,5-trimethylpyrazole-4-carbaldehyde
• 中文别名: 1,3,5-三甲基-吡唑-4-甲醛
• 英文别名: 4-formyl-1,3,5-trimethylpyrazole; 1,3,5-trimethyl-4-formylpyrazole; 1,3,5-trimethyl-1H-pyrazol-4-carbaldehyde; trimethyl-1H-pyrazole-4-carbaldehyde; 1H-Pyrazole-4-carboxaldehyde, 1,3,5-trimethyl-; MFCD00159623; 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde; 1,3,5-Trimethyl-1H-pyrazol-4-carbaldehyd; 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 240.6±35.0 °C at 760 mmHg
• 熔点: 71 °C
• 分子式: C₇H₁₀N₂O
• 分子量: 138.167
• 闪点: 99.3±25.9 °C
• 精确质量: 138.079315
• PSA: 34.89000
• LogP: 0.93
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.537
• 储存条件: 2-8°C，惰性气体氛围
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  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:无

  6.拓扑分子极性表面积34.9

  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

MSDS

Name: 1 3 5-Trimethyl-1H-pyrazole-4-carbaldehyde 90+% Material Safety Data Sheet Synonym: 4-Formyl-1,3,5-trimethyl -1H-pyrazol CAS: 2644-93-1 Section 1 - Chemical Product MSDS Name:1 3 5-Trimethyl-1H-pyrazole-4-carbaldehyde 90+% Material Safety Data Sheet Synonym:4-Formyl-1,3,5-trimethyl -1H-pyrazol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2644-93-1 1,3,5-Trimethyl-1H-pyrazole-4-carbalde 90+% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. 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. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2644-93-1: 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: pale yellow Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 77 - 78 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: C7H10N2O Molecular Weight: 138.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2644-93-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 2644-93-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2644-93-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2644-93-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 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-S24/25-S22
• 海关编码: 2933199090

合成路线

1072-91-9 68-12-2 ~59% 2644-93-1

文献：Attaryan; Antanosyan; Panosyan; Asratyan; Matsoyan Russian Journal of General Chemistry, 2006 , vol. 76, # 11 p. 1817 - 1819

72374-18-6 ~16% 2644-93-1 95264-45-2

文献：Henn, Lothar; Hickey, Deirde M. B.; Moody, Christopher J.; Rees, Charles W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , p. 2189 - 2197

72374-18-6 ~16% 2644-93-1 72374-19-7

文献：Henn, Lothar; Hickey, Deirde M. B.; Moody, Christopher J.; Rees, Charles W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , p. 2189 - 2197

上下游产品

上游产品  3
1072-91-9 68-12-2 72374-18-6
下游产品  4
108161-13-3 1125-29-7 707-85-7 18712-39-5

海关

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%