113293-71-3

• 常用中文名：6-氨基-3-吡啶基甲醇
• 常用英文名：(6-Amino-3-pyridinyl)methanol
• CAS号：113293-71-3
• 分子式：C₆H₈N₂O
• 分子量：124.141
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-08-10 16:37:29
• 更新时间：2024-01-10 16:11:53

名称

• 中文名: (6-氨基-3-吡啶基)甲醇
• 英文名: 2-Amino-5-hydroxymethylpyridine
• 中文别名: 6-氨基-3-吡啶基甲醇; 6-氨基-3-吡啶基甲醇; 2-胺基-5-羟甲基吡啶
• 英文别名: (6-aminopyridin-3-yl)methanol; MFCD06659089; 2-Amino-5-pyridinemethanol; (6-Amino-pyridin-3-yl)-methanol; 3-Pyridinemethanol, 6-amino-; (6-Amino-3-pyridinyl)methanol

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 320.2±27.0 °C at 760 mmHg
• 熔点: 120ºC
• 分子式: C₆H₈N₂O
• 分子量: 124.141
• 闪点: 147.5±23.7 °C
• 精确质量: 124.063660
• PSA: 59.14000
• LogP: -0.57
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.628
• 储存条件: 2-8°C
• 水溶解性: Sparingly soluble in water.(0.26 g/L) (25°C),
• 分子结构:

  1、 摩尔折射率：35.03

  2、 摩尔体积（cm³/mol）：98.7

  3、 等张比容（90.2K）：280.7

  4、 表面张力（dyne/cm）：65.3

  5、 极化率（10-24cm3）：13.88

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积59.1

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:87.1

  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. 熔点（ºC）：120

MSDS

Name: (6-Amino-3-pyridinyl)methanol Material Safety Data Sheet Synonym: CAS: 113293-71-3 Section 1 - Chemical Product MSDS Name:(6-Amino-3-pyridinyl)methanol Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 113293-71-3 (6-Amino-3-pyridinyl)methanol 97+% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. 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: 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# 113293-71-3: 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: Powder Color: White Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 119.5 - 120 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: C6H8N2O Molecular Weight: 124.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 113293-71-3 unlisted. LD50/LC50: Not available. Carcinogenicity: (6-Amino-3-pyridinyl)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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. 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# 113293-71-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 113293-71-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 113293-71-3 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): 22-36/37/38-20/21/22
• 安全声明 (欧洲): 22-26-36/37/39
• 危险品运输编码: 2811
• 海关编码: 2933399090

合成路线

3167-49-5 ~71% 113293-71-3

文献：NOVARTIS AG Patent: WO2008/74752 A2, 2008 ; Location in patent: Page/Page column 27-28 ; WO 2008/074752 A2

39658-41-8 ~% 113293-71-3

文献：Tetrahedron Letters, , vol. 31, # 40 p. 5757 - 5760

866561-42-4 ~30% 113293-71-3

文献：Thomas, Allen A.; Le Huerou; De Meese; Gunawardana, Indrani; Kaplan, Tomas; Romoff, Todd T.; Gonzales, Stephen S.; Condroski, Kevin; Boyd, Steven A.; Ballard, Josh; Bernat, Bryan; DeWolf, Walter; Han, May; Lee, Patrice; Lemieux, Christine; Pedersen, Robin; Pheneger, Jed; Poch, Greg; Smith, Darin; Sullivan, Francis; Weiler, Solly; Wright, S. Kirk; Lin, Jie; Brandhuber, Barb; Vigers, Guy Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 6 p. 2206 - 2210

329-89-5 ~% 113293-71-3

文献：Tetrahedron Letters, , vol. 31, # 40 p. 5757 - 5760

36052-24-1 ~67% 113293-71-3

文献：Tibotec Pharmaceuticals Ltd. Patent: WO2007/113290 A1, 2007 ; Location in patent: Page/Page column 28 ;

上下游产品

上游产品  5
3167-49-5 39658-41-8 36052-24-1 866561-42-4
329-89-5
下游产品  4
230617-81-9 132213-07-1 132213-03-7 322691-19-0

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%