| 中文名 | [1,2,4]三唑[4,3-A]吡啶-3-硫醇 |
|---|---|
| 英文名 | [1,2,4]Triazolo[4,3-a]pyridine-3-thiol |
| 中文别名 |
1,2,4-三唑[4,3-a]吡啶-3-硫醇
1,2,4-三氮唑并[4,3-A]吡啶-3(2H)-硫酮 |
| 英文别名 | 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione |
| 密度 | 1.49 g/cm3 |
|---|---|
| 沸点 | 235.1ºC at 760 mmHg |
| 熔点 | 209-210ºC |
| 分子式 | C6H5N3S |
| 分子量 | 151.18900 |
| 闪点 | 96ºC |
| 精确质量 | 151.02000 |
| PSA | 65.18000 |
| LogP | 1.39190 |
| 折射率 | 1.784 |
| 储存条件 | 2-8°C，氮气下储存 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.6 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:2 6.拓扑分子极性表面积59.7 7.重原子数量:10 8.表面电荷:0 9.复杂度:264 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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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. 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. 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# 6952-68-7: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C6H5N3S Molecular Weight: 151.19 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, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6952-68-7 unlisted. LD50/LC50: Not available. Carcinogenicity: [1,2,4]Triazolo[4,3-a]pyridine-3-thiol - 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 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 6952-68-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6952-68-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6952-68-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S36/37 |
| 海关编码 | 2933990090 |
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6952-68-7 |
| 文献：Journal of the American Chemical Society, , vol. 70, p. 1381,1384 |
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6952-68-7 |
| 文献：Edlin, Chris D.; Morgans, Garreth; Winks, Susan; Duffy, Sandra; Avery, Vicky M.; Wittlin, Sergio; Waterson, David; Burrows, Jeremy; Bryans, Justin ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 7 p. 570 - 573 |
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6952-68-7 |
| 文献：Journal of the American Chemical Society, , vol. 70, p. 1381,1384 |
|
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6952-68-7 |
| 文献：Journal of Organic Chemistry, , vol. 24, p. 1478,1481 |
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6952-68-7 |
| 文献：Journal of the Chemical Society, , vol. 123, p. 320 |
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详细
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| 文献：Journal of the Chemical Society, , vol. 123, p. 320 |
| 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% |
