497832-99-2

• 常用中文名：1-甲基-3-三氟甲基-4-溴-1H-吡唑
• 常用英文名：4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
• CAS号：497832-99-2
• 分子式：C₅H₄BrF₃N₂
• 分子量：228.998
• 发布时间：2018-07-25 14:31:13
• 更新时间：2024-01-15 12:33:13

名称

• 中文名: 1-甲基-3-三氟甲基-4-溴-1H-吡唑
• 英文名: 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
• 中文别名: 1-甲基-3-三氟甲基-4-溴吡唑; 4-溴-1-甲基-3-三氟甲基吡唑
• 英文别名: 4-bromo-1-methyl-3-(trifluoromethyl)pyrazole; MFCD04115415; 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole; 1H-Pyrazole, 4-bromo-1-methyl-3-(trifluoromethyl)-

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 200.4±35.0 °C at 760 mmHg
• 分子式: C₅H₄BrF₃N₂
• 分子量: 228.998
• 闪点: 75.0±25.9 °C
• 精确质量: 227.950989
• PSA: 17.82000
• LogP: 2.15
• 蒸汽压: 0.5±0.4 mmHg at 25°C
• 折射率: 1.509
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：37.56

  2、 摩尔体积（cm³/mol）：125.7

  3、 等张比容（90.2K）：125.7

  4、 表面张力（dyne/cm）：31.5

  5、 极化率（10-24cm3）：14.89

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积17.8

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:149

  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（760 mmHg,ºC）：28-30

  2..沸点（0.5000 mm Hg,ºC）：52-56

MSDS

Name: 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole Material Safety Data Sheet Synonym: None Known CAS: 497832-99-2 Section 1 - Chemical Product MSDS Name:4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 497832-99-2 4-Bromo-1-methyl-3-(trifluoromethyl)-1 97+ unlisted Hazard Symbols: XI 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. 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 appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store under an inert atmosphere. 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# 497832-99-2: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid or liquid Color: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 52-56 deg C @ 0.5mmHg 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: C5H4N2F3Br Molecular Weight: 231.92 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Low melting point solid. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas, hydrogen bromide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 497832-99-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole - 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 6 Keep under nitrogen. S 23 Do not inhale gas/fumes/vapour/spray. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 497832-99-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 497832-99-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 497832-99-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2933199090

合成路线

154471-65-5 ~64% 497832-99-2

文献：Schlosser, Manfred; Volle, Jean-Noel; Leroux, Frederic; Schenk, Kurt European Journal of Organic Chemistry, 2002 , # 17 p. 2913 - 2920

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%