14389-12-9

• 常用中文名：4-(1H-1,2,3,4-四偶氮-5-炔)吡啶
• 常用英文名：2-(1H-Tetrazol-5-yl)pyridine
• CAS号：14389-12-9
• 分子式：C₆H₅N₅
• 分子量：147.137
• 发布时间：2018-06-17 07:29:37
• 更新时间：2024-01-09 22:36:14

名称

• 中文名: 5-(4-吡啶基)-1H-四唑
• 英文名: 4-(2H-tetrazol-5-yl)pyridine
• 中文别名: 4-(1H-1,2,3,4-四偶氮-5-炔)吡啶
• 英文别名: 5-(4-Pyridyl)-1H-Tetrazole; MFCD00068115; 5-(4-pyridyl)-2H-1,2,3,4-tetraazole; 2-(1H-Tetrazol-5-yl)pyridine; 2-(2H-tetraazol-5-yl)pyridine; Pyridine,4-(2H-tetrazol-5-yl); 2-(1H-tetrazol-5'-yl) pyridine; 5-(4'-pyridyl)tetrazole; 4-(2H-TETRAZOL-5-YL)-PYRIDINE; Pyridine, 2-(1H-tetrazol-5-yl)-; 4-(1H-tetrazol-5-yl)-pyridine; 4-(1-H-tetrazole-5-yl)pyridine

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 377.1±34.0 °C at 760 mmHg
• 熔点: 265 °C
• 分子式: C₆H₅N₅
• 分子量: 147.137
• 闪点: 190.9±18.6 °C
• 精确质量: 147.054489
• PSA: 67.35000
• LogP: 0.56
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.629
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料： 氧化物
• 分子结构:

  1、 摩尔折射率：37.64

  2、 摩尔体积（m³/mol）：105.9

  3、 等张比容（90.2K）：316.8

  4、 表面张力（dyne/cm）：80.0

  5、 极化率（10^-24cm³）：14.92

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.1

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积67.4

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:122

  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：粉末

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：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（kPa,25ºC）：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: 4-(1h-1 2 3 4-tetraazol-5-yl)pyridine 97% Material Safety Data Sheet Synonym: 5-(Pyrid-4-yl)-1H-tetrazol CAS: 14389-12-9 Section 1 - Chemical Product MSDS Name:4-(1h-1 2 3 4-tetraazol-5-yl)pyridine 97% Material Safety Data Sheet Synonym:5-(Pyrid-4-yl)-1H-tetrazol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 14389-12-9 4-(1H-1,2,3,4-Tetraazol-5-yl)pyridine 97% unlisted Hazard Symbols: F Risk Phrases: 11 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Highly flammable. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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. Flammable solid. 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. Remove all sources of ignition. Use a spark-proof tool. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 14389-12-9: 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 265 - 267 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: C6H5N5 Molecular Weight: 147 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, ignition sources. Incompatibilities with Other Materials: Oxidizing agents, bases, acid chlorides. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 14389-12-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(1H-1,2,3,4-Tetraazol-5-yl)pyridine - 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: FLAMMABLE SOLID, ORGANIC, N.O.S.* Hazard Class: 4.1 UN Number: 1325 Packing Group: III IMO Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing Group: III RID/ADR Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: F Risk Phrases: R 11 Highly flammable. Safety Phrases: S 16 Keep away from sources of ignition - No smoking. WGK (Water Danger/Protection) CAS# 14389-12-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 14389-12-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 14389-12-9 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

毒理学数据: 1、急性毒性： 主要的刺激性影响： 在皮肤上面：可能引起发炎； 在眼睛上面：可能引起发炎；没有已知的敏化影响。 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): F:Highlyflammable;
• 风险声明 (欧洲): R11
• 安全声明 (欧洲): S22-S36/37/39
• 海关编码: 2933990090

合成路线

100-48-1 ~99% 14389-12-9

文献：Journal of the Brazilian Chemical Society, , vol. 23, # 12 p. 2197 - 2203

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%