5356-71-8

• 常用中文名：5-氨基-1,3-二苯基吡唑
• 常用英文名：5-amino-1,3-diphenylpyrazole
• CAS号：5356-71-8
• 分子式：C₁₅H₁₃N₃
• 分子量：235.28400
• 发布时间：2018-09-09 11:40:00
• 更新时间：2024-01-02 13:24:44
• 下载msds

名称

• 中文名: 5-氨基-1,3-二苯基哌唑
• 英文名: 2,5-diphenylpyrazol-3-amine
• 中文别名: 5-氨基-1,3-二苯基吡唑
• 英文别名: 5-Amino-1,3-diphenyl-1H-pyrazole; 1H-Pyrazol-5-amine,1,3-diphenyl; MFCD00084878; 2,5-diphenyl-3-aminopyrazole; 1,3-diphenylpyrazole-5-ylamine; 1,3-DIPHENYL-1H-PYRAZOL-5-YLAMINE; Pyrazole,5-amino-1,3-diphenyl; 5-Amino-1,3-diphenylpyrazole; 1,3-Diphenyl-1H-pyrazol-5-amine; 1,3-diphenyl-5-pyrazolamine; 1,3-Diphenyl-5-amino pyrazole

物化性质

• 密度: 1.17g/cm3
• 沸点: 454ºC at 760mmHg
• 熔点: 129-132°C
• 分子式: C₁₅H₁₃N₃
• 分子量: 235.28400
• 闪点: 228.4ºC
• 精确质量: 235.11100
• PSA: 43.84000
• LogP: 3.70270
• 外观性状: 固体;White to Yellow to Orange powder to crystal
• 折射率: 1.646
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 水溶解性: 可溶于：甲醇
• 分子结构:

  分子性质数据：

  1、 摩尔折射率：72.95

  2、 摩尔体积（m³/mol）：200.8

  3、 等张比容（90.2K）：530.1

  4、 表面张力（dyne/cm）：48.5

  5、 极化率（10 ^-24cm ³）：28.92

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.2

  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:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积43.8

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:257

  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/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）：129-132

  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（℃）：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: 1 3-Diphenyl-1H-pyrazol-5-amine 97% Material Safety Data Sheet Synonym: CAS: 5356-71-8 Section 1 - Chemical Product MSDS Name:1 3-Diphenyl-1H-pyrazol-5-amine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5356-71-8 1,3-Diphenyl-1H-pyrazol-5-amine 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. 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. 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# 5356-71-8: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 129 - 132 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: C15H13N3 Molecular Weight: 235 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5356-71-8: UQ5580000 LD50/LC50: Not available. Carcinogenicity: 1,3-Diphenyl-1H-pyrazol-5-amine - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5356-71-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5356-71-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5356-71-8 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: 急性毒性： 大鼠腹膜LDLo：315mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意 CHEMICAL IDENTIFICATION RTECS NUMBER : UQ5580000 CHEMICAL NAME : Pyrazole, 5-amino-1,3-diphenyl- CAS REGISTRY NUMBER : 5356-71-8 BEILSTEIN REFERENCE NO. : 0181333 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C15-H13-N3 MOLECULAR WEIGHT : 235.31 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 315 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,295,1964

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• RTECS号: UQ5580000
• 海关编码: 2933199090

合成路线

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海关

海关编码	2933199090
中文概述	2933199090. 其他结构上有非稠合吡唑环化合物. 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	2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%