1122-43-6

• 常用中文名：2,6-二甲基-3-羟基吡啶
• 常用英文名：2,6-Dimethyl-3-hydroxypyridine
• CAS号：1122-43-6
• 分子式：C₇H₉NO
• 分子量：123.152
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 羟基吡啶
• 发布时间：2018-05-29 08:00:00
• 更新时间：2024-01-09 21:16:42

名称

• 中文名: 2,6-二甲基吡啶-3-醇
• 英文名: 2,6-dimethylpyridin-3-ol
• 中文别名: 2,6-二甲基-3-羟基吡啶; 2,6-二甲基-3-羟基吡啶2,6-二甲基-3-羟基吡啶
• 英文别名: 2,6-dimethylpyridin-3-ol; EINECS 214-348-8; 2,6-dimethyl-pyridin-3-ol; 3-Pyridinol, 2,6-dimethyl-; 3-Pyridinol,2,6-dimethyl; 2,6-Dimethyl-3-oxypyridine; 2,6-Dimethyl-3-hydroxypyridine; 2,5-DIMETHOXY-4-BROMOAMPHETAMINE; 3-hydroxy-2,6-dimethylpyridine; 2,6-Dimethyl-3-pyridinol; MFCD00228692

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 278.9±35.0 °C at 760 mmHg
• 熔点: 210-212°C
• 分子式: C₇H₉NO
• 分子量: 123.152
• 闪点: 122.4±25.9 °C
• 精确质量: 123.068413
• PSA: 33.12000
• LogP: 1.56
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.544
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：35.87

  2、 摩尔体积（m³/mol）：113.6

  3、 等张比容（90.2K）：291.7

  4、 表面张力（dyne/cm）: 43.4

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：14.22

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.3

  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:0

  5.互变异构体数量:3

  6.拓扑分子极性表面积33.1

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:94.9

  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. 性状：白色固体结晶。

  2. 密度（g/cm³,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：210-212

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,1.5mmHg）：未确定

  7. 折射率(n20/D)：完全

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 2 6-Dimethylpyridin-3-ol 97% Material Safety Data Sheet Synonym: CAS: 1122-43-6 Section 1 - Chemical Product MSDS Name:2 6-Dimethylpyridin-3-ol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1122-43-6 2,6-Dimethylpyridin-3-ol 97% 214-348-8 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# 1122-43-6: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 180 deg C(decom) 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: C7H9NO Molecular Weight: 123 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1122-43-6: UU7712100 LD50/LC50: Not available. Carcinogenicity: 2,6-Dimethylpyridin-3-ol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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# 1122-43-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1122-43-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1122-43-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UU7712100 CHEMICAL NAME : 3-Pyridinol, 2,6-dimethyl- CAS REGISTRY NUMBER : 1122-43-6 BEILSTEIN REFERENCE NO. : 0111008 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H9-N-O MOLECULAR WEIGHT : 123.17 WISWESSER LINE NOTATION : T6NJ B1 CQ F1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 675 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 16,259,1982

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933399090

合成路线

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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%