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| 中文名 | 硫代色满-4-酮 |
|---|---|
| 英文名 | 2,3-dihydrothiochromen-4-one |
| 中文别名 | 硫代色满4-酮 |
| 英文别名 |
Thiochroman-4-one
MFCD00006882 4-Thiochromanone 3,4-dihydro-2H-1-benzothiin-4-one 4H-1-Benzothiopyran-4-one,2,3-dihydro 3,4-dihydro-2H-1-benzothiopyran-4-one 2,3-dihydro-4H-1-benzothiopyran-4-one 4H-1-Benzothiopyran-4-one,3-dihydro EINECS 222-548-1 2H,3H-benzo[e]thian-4-one |
| 密度 | 1.241 g/cm3 |
|---|---|
| 沸点 | 293.7ºC at 760 mmHg |
| 熔点 | 28-30ºC(lit.) |
| 分子式 | C9H8OS |
| 分子量 | 164.22400 |
| 闪点 | 154.9ºC |
| 精确质量 | 164.03000 |
| PSA | 42.37000 |
| LogP | 2.36510 |
| 折射率 | n20/D 1.6395(lit.) |
| 储存条件 | 室温，干燥，密封 |
| 分子结构 | 1、 摩尔折射率：46.71 2、 摩尔体积（m3/mol）：132.2 3、 等张比容（90.2K）：350.1 4、 表面张力（dyne/cm）：49.1 5、 极化率（10 -24cm 3）：18.52 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.9 2.氢键供体数量:0 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42.4 7.重原子数量:11 8.表面电荷:0 9.复杂度:167 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：橙色物质 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）：28-30 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：154 7. 折射率：n20/D1.6395 8. 闪点（ºC）：＞110 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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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. 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: 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. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: 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. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up, then place into a suitable container for disposal. 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 3528-17-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: colorless - brown Odor: stench pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 154 deg C @ 12.00mmHg Freezing/Melting Point: 28.00 - 30.00 deg C Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H8OS Molecular Weight: 164.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3528-17-4 unlisted. LD50/LC50: Not available. Carcinogenicity: THIOCHROMAN-4-ONE, 97% - 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. WGK (Water Danger/Protection) CAS# 3528-17-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3528-17-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3528-17-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 安全声明 (欧洲) | S24/25 |
| 危险品运输编码 | UN 3335 |
| 海关编码 | 2932999099 |
| 海关编码 | 2932999099 |
|---|---|
| 中文概述 | 2932999099. 其他仅含氧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 |
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |