175201-95-3

• 常用中文名：4-氯-1,3-二甲基吡唑并[3,4-B]吡啶-5-羰酰氯
• 常用英文名：4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
• CAS号：175201-95-3
• 分子式：C₉H₇Cl₂N₃O
• 分子量：244.07700
• 发布时间：2018-11-30 21:59:53
• 更新时间：2024-01-09 09:28:36

名称

• 中文名: 4-氯-1,3-二甲基吡唑并[3,4-B]吡啶-5-羰酰氯
• 英文名: 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
• 中文别名: 1,3-二甲基-4-氯-吡唑并[3,4-B]吡啶-5-甲酰氯
• 英文别名: OR4065; 4-Chloro-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl Chloride

物化性质

• 密度: 1.57g/cm3
• 沸点: 365.1ºC at 760mmHg
• 熔点: 106ºC
• 分子式: C₉H₇Cl₂N₃O
• 分子量: 244.07700
• 闪点: 174.6ºC
• 精确质量: 242.99700
• PSA: 47.78000
• LogP: 2.30910
• 蒸汽压: 1.61E-05mmHg at 25°C
• 折射率: 1.682
• 分子结构:

  1、 摩尔折射率：58.662、 摩尔体积（cm³/mol）：154.83、 等张比容（90.2K）：414.24、 表面张力（dyne/cm）：51.15、 极化率（10-24cm3）：23.25

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积47.8

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:276

  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

MSDS

Name: 4-Chloro-1 3-dimethyl-1H-pyrazolo[3 4-b]pyridine-5-carbonyl chloride Material Safety Data Sheet Synonym: CAS: 175201-95-3 Section 1 - Chemical Product MSDS Name:4-Chloro-1 3-dimethyl-1H-pyrazolo[3 4-b]pyridine-5-carbonyl chloride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 175201-95-3 4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4- 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen. 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# 175201-95-3: 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: 106 - 108 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: C9H7Cl2N3O Molecular Weight: 244 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, bases, reducing agents, acids, alcohols, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 175201-95-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl chloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 175201-95-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175201-95-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175201-95-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3261
• 海关编码: 2933990090

合成路线

175201-94-2 ~% 175201-95-3

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 1 p. 29 - 32

3524-32-1 ~% 175201-95-3

文献：Bioorganic and Medicinal Chemistry, , vol. 12, # 15 p. 4089 - 4100

20481-15-6 ~% 175201-95-3

文献：Bioorganic and Medicinal Chemistry, , vol. 12, # 15 p. 4089 - 4100

20481-33-8 ~% 175201-95-3

文献：Bioorganic and Medicinal Chemistry, , vol. 12, # 15 p. 4089 - 4100

上下游产品

上游产品  4
175201-94-2 3524-32-1 20481-15-6 20481-33-8
下游产品  0

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%