368869-85-6

• 常用中文名：1-[4-(溴甲基)苯基]-1H-吡唑
• 常用英文名：1-[4-(Bromomethyl)phenyl]-1H-pyrazole
• CAS号：368869-85-6
• 分子式：C₁₀H₉BrN₂
• 分子量：237.096
• 发布时间：2018-11-24 10:14:40
• 更新时间：2024-01-03 11:25:41
• 下载msds

名称

• 中文名: 1-ó4-(溴甲基)苯-1H-吡唑
• 英文名: 1-(4-(Bromomethyl)phenyl)-1H-pyrazole
• 中文别名: 1-[4-(溴甲基)苯基]-1H-吡唑
• 英文别名: 1-[4-(bromomethyl)phenyl]pyrazole; 1-[4-(Bromomethyl)phenyl]-1H-pyrazole; 1H-Pyrazole, 1-[4-(bromomethyl)phenyl]-

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 315.3±25.0 °C at 760 mmHg
• 熔点: 77-79ºC
• 分子式: C₁₀H₉BrN₂
• 分子量: 237.096
• 闪点: 144.5±23.2 °C
• 精确质量: 235.994904
• PSA: 17.82000
• LogP: 2.82
• 外观性状: 白色至淡黄色晶体粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.624
• 储存条件: 2-8°C， 密封， 干燥
• 分子结构:

  1、 摩尔折射率：58.09

  2、 摩尔体积（cm³/mol）：164.

  3、 等张比容（90.2K）：428.2

  4、 表面张力（dyne/cm）：45.8

  5、 极化率（10-24cm3）：23.03

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  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:13

  8.表面电荷:0

  9.复杂度:155

  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）：77~79

MSDS

Name: 1-[4-(Bromomethyl)phenyl]-1h-pyrazole 95+% Material Safety Data Sheet Synonym: CAS: 368869-85-6 Section 1 - Chemical Product MSDS Name:1-[4-(Bromomethyl)phenyl]-1h-pyrazole 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 368869-85-6 1-[4-(Bromomethyl)phenyl]-1H-pyrazole 95+% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. 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 immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. 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# 368869-85-6: 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: off-white Odor: perceptible odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 77 - 79 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: C10H9BrN2 Molecular Weight: 237.1 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, amines. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 368869-85-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-[4-(Bromomethyl)phenyl]-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 Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: 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. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 368869-85-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 368869-85-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 368869-85-6 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): C
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36/37/39-45