1046-56-6

• 常用中文名：5,6-二苯基-3-(2-吡啶基)-1,2,4-三嗪
• 常用英文名：3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE
• CAS号：1046-56-6
• 分子式：C₂₀H₁₄N₄
• 分子量：310.35200
• 发布时间：2018-11-25 12:03:07
• 更新时间：2024-01-02 13:35:46

名称

• 中文名: 3-(2-吡啶基)-5,6-二苯基-1,2,4-三嗪
• 英文名: 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine
• 中文别名: 5,6-联苯基-3-(2-吡啶基)-1,2,4-三吖嗪
• 英文别名: EINECS 213-878-7; MFCD00006462; 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine; 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine

物化性质

• 密度: 1.202g/cm3
• 沸点: 525.3ºC at 760mmHg
• 熔点: 191-193 °C(lit.)
• 分子式: C₂₀H₁₄N₄
• 分子量: 310.35200
• 闪点: 237.7ºC
• 精确质量: 310.12200
• PSA: 51.56000
• LogP: 4.26760
• 外观性状: 黄色粉末
• 蒸汽压: 1.33E-10mmHg at 25°C
• 折射率: 1.634
• 储存条件:

  保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化物接触

• 分子结构:

  1、 摩尔折射率：92.39

  2、 摩尔体积（m³/mol）：258.1

  3、 等张比容（90.2K）：703.9

  4、 表面张力（dyne/cm）：55.2

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：36.62

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积51.6

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:376

  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：未确定。

  2. 密度（g/cm³,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：191-193

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,8mm）：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: 3-(2-Pyridyl)-5 6-Diphenyl-1 2 4-Triazine 99+% Material Safety Data Sheet Synonym: 5,6-Diphenyl-3-(2-Pyridyl)-1,2,4-Triazine; PDT CAS: 1046-56-6 Section 1 - Chemical Product MSDS Name:3-(2-Pyridyl)-5 6-Diphenyl-1 2 4-Triazine 99+% Material Safety Data Sheet Synonym:5,6-Diphenyl-3-(2-Pyridyl)-1,2,4-Triazine; PDT Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1046-56-6 3-(2-Pyridyl)-5,6-Diphenyl-1,2,4-Triaz 99+% 213-878-7 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 1046-56-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 191.00 - 193.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C20H14N4 Molecular Weight: 310.35 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong acids. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1046-56-6: XY8598150 LD50/LC50: Not available. Carcinogenicity: 3-(2-Pyridyl)-5,6-Diphenyl-1,2,4-Triazine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 1046-56-6: No information available. Canada CAS# 1046-56-6 is listed on Canada's DSL List. CAS# 1046-56-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1046-56-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：鹌鹑口经LD50：>316mg/kg 生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境储存 CHEMICAL IDENTIFICATION RTECS NUMBER : XY8598150 CHEMICAL NAME : 1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)- CAS REGISTRY NUMBER : 1046-56-6 BEILSTEIN REFERENCE NO. : 0542151 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C20-H14-N4 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - quail DOSE/DURATION : >316 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 6,149,1982

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
• WGK德国: 3
• RTECS号: XY8598150
• 海关编码: 2933990090

合成路线

1452-63-7 134-81-6 ~89% 1046-56-6

文献：Zhao, Zhijian; Leister, William H.; Strauss, Kimberly A.; Wisnoski, David D.; Lindsley, Craig W. Tetrahedron Letters, 2003 , vol. 44, # 6 p. 1123 - 1127

74222-83-6 ~% 1046-56-6

文献：Tetrahedron Letters, , vol. 22, # 15 p. 1393 - 1396

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文献：Tetrahedron Letters, , vol. 22, # 15 p. 1393 - 1396

73720-51-1 618-39-3 ~30% 493-77-6 78386-71-7 详细

文献：Tetrahedron Letters, , vol. 22, # 15 p. 1393 - 1396

73720-51-1 618-39-3 ~30% 24108-44-9 1046-56-6

文献：Tetrahedron Letters, , vol. 22, # 15 p. 1393 - 1396

上下游产品

上游产品  6
1452-63-7 134-81-6 74222-83-6 65520-11-8
73720-51-1 618-39-3
下游产品  2
493-77-6 78386-71-7

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%