28466-21-9

• 常用中文名：4-氨基-1,3,5-三甲基吡唑
• 常用英文名：1,3,5-Trimethyl-1H-pyrazol-4-amine
• CAS号：28466-21-9
• 分子式：C₆H₁₁N₃
• 分子量：125.172
• 发布时间：2018-12-25 20:57:15
• 更新时间：2024-01-02 15:31:41

名称

• 中文名: 1,3,5-三甲基-吡唑-4-胺
• 英文名: 4-amino-1,3,5-trimethylpyrazole
• 中文别名: 4-氨基-1,3,5-三甲基吡唑; 4-氨基-1,3,5-三甲基-1H-吡唑
• 英文别名: AKOS PAO-0230; 4-Amino-2,3,5-trimethyl-2H-pyrazole; 1,3,5-trimethyl-1H-pyrazol-4-ylamine; 1H-Pyrazol-4-amine, 1,3,5-trimethyl-; 4-Amino-1,3,5-trimethyl-1H-pyrazole; 1,3,5-trimethyl-4-aminopyrazole; MFCD00052883; 1,3,5-Trimethyl-1H-pyrazol-4-amine; 1,3,5-trimethyl-1H-4-aminopyrazole; 4-amino-1,3,5-trimethyl-pyrazol; 1,3,5-Trimethyl-4-pyrazolamine

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 236.3±35.0 °C at 760 mmHg
• 熔点: 96 °C
• 分子式: C₆H₁₁N₃
• 分子量: 125.172
• 闪点: 96.7±25.9 °C
• 精确质量: 125.095299
• PSA: 43.84000
• LogP: 0.25
• 外观性状: 棕色固体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.568
• 储存条件: 室温
• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  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:无

  6.拓扑分子极性表面积43.8

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:105

  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：白色或灰黄色的晶体状粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：99-105

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, KPa）：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（Pa,23ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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：不溶于水

MSDS

Name: 1 3 5-Trimethyl-1H-pyrazol-4-amine 97% Material Safety Data Sheet Synonym: CAS: 28466-21-9 Section 1 - Chemical Product MSDS Name:1 3 5-Trimethyl-1H-pyrazol-4-amine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28466-21-9 1,3,5-Trimethyl-1H-pyrazol-4-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# 28466-21-9: 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: beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 101 - 102 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: C6H11N3 Molecular Weight: 125 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28466-21-9: UQ6125100 LD50/LC50: Not available. Carcinogenicity: 1,3,5-Trimethyl-1H-pyrazol-4-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# 28466-21-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28466-21-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28466-21-9 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：小鼠皮下LD50：>500mg/kg 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : UQ6125100 CHEMICAL NAME : Pyrazole, 4-amino-1,3,5-trimethyl- CAS REGISTRY NUMBER : 28466-21-9 BEILSTEIN REFERENCE NO. : 0110739 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C6-H11-N3 MOLECULAR WEIGHT : 125.20 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 25,592,1970

安全

• 危害码 (欧洲): Xi: Irritant;
• 安全声明 (欧洲): S22-S24/25
• RTECS号: UQ6125100
• 海关编码: 2933199090

合成路线

1125-30-0 ~72% 28466-21-9

文献：WARNER-LAMBERT COMPANY Patent: EP1203767 A1, 2002 ; Location in patent: Example 39 ;

7171-70-2 ~78% 28466-21-9

文献：Cuadrado, Purificacion; Gonzalez-Nogal, Ana M.; Martinez, Senen Tetrahedron, 1997 , vol. 53, # 25 p. 8585 - 8598

15801-69-1 ~39% 28466-21-9

文献：Cheung, Chi Wai; Surry, David S.; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 14 p. 3734 - 3737

29917-12-2 ~% 28466-21-9

文献：Cuadrado, Purificacion; Gonzalez-Nogal, Ana M.; Martinez, Senen Tetrahedron, 1997 , vol. 53, # 25 p. 8585 - 8598

14531-55-6 ~% 28466-21-9

文献：Musante; Stener Gazzetta Chimica Italiana, 1959 , vol. 89, p. 1579,1594

1123-49-5 ~% 28466-21-9

文献：Musante; Stener Gazzetta Chimica Italiana, 1959 , vol. 89, p. 1579,1594

上下游产品

上游产品  6
1125-30-0 7171-70-2 15801-69-1 29917-12-2
14531-55-6 1123-49-5
下游产品  2
51660-65-2 63204-11-5

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%