153912-60-8

• 常用中文名：1,5-二甲基-1H-吡唑-3-甲醇
• 常用英文名：(1,5-Dimethyl-1H-pyrazol-3-yl)methanol
• CAS号：153912-60-8
• 分子式：C₆H₁₀N₂O
• 分子量：126.156
• 发布时间：2018-12-18 14:17:36
• 更新时间：2024-01-02 10:43:27

名称

• 中文名: 1,5-二甲基-1H-吡唑-3-甲醇
• 英文名: (1,5-dimethylpyrazol-3-yl)methanol
• 中文别名: (1,5-二甲基-1H-吡唑-3-基)甲醇; (1,5-二甲基-1H-吡唑)甲醇
• 英文别名: 1H-Pyrazole-3-methanol,1,5-dimethyl; MFCD03659702; (1,5-Dimethyl-1H-pyrazol-3-yl)methanol; 1,5-Dimethyl-1H-pyrazol-3-yl-methanol; 1H-Pyrazole-3-methanol, 1,5-dimethyl-; 1-methyl-3-hydroxymethyl-5-methylpyrazole

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 248.6±25.0 °C at 760 mmHg
• 熔点: 50ºC
• 分子式: C₆H₁₀N₂O
• 分子量: 126.156
• 闪点: 104.1±23.2 °C
• 精确质量: 126.079315
• PSA: 38.05000
• LogP: -0.56
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.543
• 储存条件: 2-8°C，保存于惰性气体中
• 分子结构:

  1、 摩尔折射率：35.13

  2、 摩尔体积（cm³/mol）：111.3

  3、 等张比容（90.2K）：275.7

  4、 表面张力（dyne/cm）：37.5

  5、 极化率（10-24cm3）：13.92

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.2

  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:1

  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:9

  8.表面电荷:0

  9.复杂度:97.1

  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.沸点（2 mm Hg,ºC）：118

  2. 熔点（ºC）：50

MSDS

Name: (1 5-Dimethyl-1H-pyrazol-3-yl)methanol 97% Material Safety Data Sheet Synonym: CAS: 153912-60-8 Section 1 - Chemical Product MSDS Name:(1 5-Dimethyl-1H-pyrazol-3-yl)methanol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 153912-60-8 (1,5-Dimethyl-1H-pyrazol-3-yl)methanol 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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. Store under nitrogen. 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# 153912-60-8: 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: Liquid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 118 deg C @2mmHg 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: C6H10N2O Molecular Weight: 126.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides, halogenated agents, halogens. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 153912-60-8 unlisted. LD50/LC50: Not available. Carcinogenicity: (1,5-Dimethyl-1H-pyrazol-3-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# 153912-60-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 153912-60-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 153912-60-8 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): 26-36/37/39
• 海关编码: 2933199090

合成路线

5744-51-4 ~85% 153912-60-8

文献：Chabert-Couchouron, Nathalie; Reibel, Corine; Marzin, Claude; Tarrago, Georges Anales de Quimica, 1996 , vol. 92, # 2 p. 70 - 78

615-79-2 ~% 153912-60-8

文献：Organic Letters, , vol. 13, # 6 p. 1436 - 1439

4027-57-0 ~% 153912-60-8

文献：Medicinal Chemistry Research, , vol. 21, # 10 p. 2772 - 2778,7

上下游产品

上游产品  3
5744-51-4 615-79-2 4027-57-0
下游产品  0

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%