153863-35-5

• 常用中文名：1-苯基-5-甲基-吡唑-4-甲醇
• 常用英文名：(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL
• CAS号：153863-35-5
• 分子式：C₁₁H₁₂N₂O
• 分子量：188.22600
• 发布时间：2019-01-18 15:51:34
• 更新时间：2024-01-20 06:50:40
• 下载msds

名称

• 中文名: (5-甲基-1-苯基-1H-吡唑-4-基)甲醇
• 英文名: (5-methyl-1-phenylpyrazol-4-yl)methanol
• 英文别名: 1H-Pyrazole-4-methanol,5-methyl-1-phenyl; MFCD02682046; (5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol; [(1-phenyl)-5-methyl-1H-pyrazole-4-yl]-methanol

物化性质

• 密度: 1.14g/cm3
• 沸点: 346ºC at 760mmHg
• 熔点: 88ºC
• 分子式: C₁₁H₁₂N₂O
• 分子量: 188.22600
• 闪点: 163.1ºC
• 精确质量: 188.09500
• PSA: 38.05000
• LogP: 1.67300
• 蒸汽压: 2.25E-05mmHg at 25°C
• 折射率: 1.593
• 储存条件: 2-8°C，密封，干燥
• 分子结构:

  1、 摩尔折射率：30.05

  2、 摩尔体积（cm³/mol）：91.0

  3、 等张比容（90.2K）：252.2

  4、 表面张力（dyne/cm）：58.8

  5、 极化率（10-24cm3）：11.91

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:1

  3.氢键受体数量:2

  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38

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:180

  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: (5-Methyl-1-phenyl-1h-pyrazol-4-yl)methanol 97% Material Safety Data Sheet Synonym: CAS: 153863-35-5 Section 1 - Chemical Product MSDS Name:(5-Methyl-1-phenyl-1h-pyrazol-4-yl)methanol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 153863-35-5 (5-Methyl-1-phenyl-1H-pyrazol-4-yl)met 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. 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# 153863-35-5: 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: 88 - 89 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: C11H12N2O Molecular Weight: 188.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 153863-35-5 unlisted. LD50/LC50: Not available. Carcinogenicity: (5-Methyl-1-phenyl-1H-pyrazol-4-yl)methanol - 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# 153863-35-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 153863-35-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 153863-35-5 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
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933199090

合成路线

89193-16-8 ~99% 153863-35-5

文献：GLAXO GROUP LIMITED Patent: WO2006/67462 A1, 2006 ; Location in patent: Page/Page column 46-47 ; WO 2006/067462 A1

59-88-1 ~% 153863-35-5

文献：EP2308838 A1, ;

上下游产品

上游产品  2
89193-16-8 59-88-1
下游产品  1
98700-50-6

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%