852-38-0

• 常用中文名：2-(4-联苯基)-5-苯基恶二唑
• 常用英文名：2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE
• CAS号：852-38-0
• 分子式：C₂₀H₁₄N₂O
• 分子量：298.33800
• 相关类别： 分析化学 标准品 光谱标准品
• 发布时间：2019-01-01 11:59:34
• 更新时间：2024-01-08 18:08:28
• 2-(4-联苯基)-5-苯基-1,3,4-恶二唑是一种具有高光致发光量子效率的激光染料[1]。

名称

• 中文名: 2-(4-联苯基)-5-苯基-1,3,4-噁二唑
• 英文名: 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole
• 中文别名: 2-(4-联苯基)-5-苯基恶二唑
• 英文别名: EINECS 212-712-0; 2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole; MFCD00003100

物化性质

• 密度: 1.172g/cm3
• 沸点: 480.7ºC at 760 mmHg
• 熔点: 167-169 °C(lit.)
• 分子式: C₂₀H₁₄N₂O
• 分子量: 298.33800
• 闪点: 240.7ºC
• 精确质量: 298.11100
• PSA: 38.92000
• LogP: 5.07060
• 外观性状: 白色细结晶粉末
• 折射率: 1.612
• 储存条件:

  2-8°C密封储存 。

• 稳定性:

  常温常压下稳定，避免氧化剂接触

• 分子结构:

  1、摩尔折射率：88.51

  2、摩尔体积（m3/mol）：254.5

  3、等张比容（90.2K）：669.6

  4、表面张力（dyne/cm）：47.9

  5、极化率（10-24cm3）：35.08

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.7

  2.氢键供体数量:0

  3.氢键受体数量:3

  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38.9

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:355

  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：无色结晶性粉末。

  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）： 169

  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：溶于甲苯和二甲苯，不溶于水。其酸或碱溶液加热则分解。

生物活性

• 描述: 2-(4-联苯基)-5-苯基-1,3,4-恶二唑是一种具有高光致发光量子效率的激光染料[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Wang C, et al. Polymeric Alkoxy PBD [2-(4-Biphenylyl)-5-Phenyl-1, 3, 4-Oxadiazole] for Light-Emitting Diodes. Advanced Functional Materials, 2001, 11(1): 47-50.

MSDS

Name: Pbd Scintillation Grade Material Safety Data Sheet Synonym: 1,3,4-Oxodiazole,2-1,1'-Biphenyl-4-yl-5-Pheny CAS: 852-38-0 Section 1 - Chemical Product MSDS Name:Pbd Scintillation Grade Material Safety Data Sheet Synonym:1,3,4-Oxodiazole,2-1,1'-Biphenyl-4-yl-5-Pheny Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 852-38-0 1,3,4-Oxadiazole, 2-1,1'-Biphenyl-4-yl ca 100 212-712-0 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. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 852-38-0: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 168.00 - 170.00 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: C20H14N2O Molecular Weight: 298.33 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: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 852-38-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3,4-Oxadiazole, 2-1,1'-Biphenyl-4-yl-5-Phenyl - 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 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# 852-38-0: No information available. Canada CAS# 852-38-0 is listed on Canada's NDSL List. CAS# 852-38-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 852-38-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2934999090

合成路线

412956-37-7 ~85% 852-38-0

文献：Majji, Ganesh; Rout, Saroj Kumar; Guin, Srimanta; Gogoi, Anupal; Patel, Bhisma K. RSC Advances, 2014 , vol. 4, # 11 p. 5357 - 5362

613-94-5 92-92-2 ~82% 852-38-0

文献：Wang, Ying; Sauer, Daryl R.; Djuric, Stevan W. Tetrahedron Letters, 2006 , vol. 47, # 1 p. 105 - 108

86268-09-9 ~66% 852-38-0

文献：Milcent, Rene; Barbier, Geo Journal of Heterocyclic Chemistry, 1983 , vol. 20, p. 77 - 80

100989-00-2 ~% 852-38-0

文献：Journal of the American Chemical Society, , vol. 77, p. 1850

613-94-5 ~% 852-38-0

文献：Journal of the American Chemical Society, , vol. 77, p. 1850

14002-51-8 ~% 852-38-0

文献：Journal of the American Chemical Society, , vol. 77, p. 1850

92-92-2 ~% 852-38-0

文献：Tetrahedron, , vol. 62, # 43 p. 10223 - 10236

720-75-2 ~% 852-38-0

文献：Magnetic Resonance in Chemistry, , vol. 49, # 10 p. 648 - 654

18622-23-6 ~% 852-38-0

文献：Magnetic Resonance in Chemistry, , vol. 49, # 10 p. 648 - 654

上下游产品

上游产品  7
412956-37-7 613-94-5 92-92-2 86268-09-9
14002-51-8 720-75-2 18622-23-6
下游产品  4
5730-78-9 5731-13-5 92-92-2 114691-92-8

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%