3528-17-4

• 常用中文名：硫代色满-4-酮
• 常用英文名：Thiochroman-4-one
• CAS号：3528-17-4
• 分子式：C₉H₈OS
• 分子量：164.22400
• 发布时间：2018-02-07 08:00:00
• 更新时间：2024-01-10 16:23:12
• 下载msds

名称

• 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

物化性质

• 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

MSDS

Name: Thiochroman-4-one 97% Material Safety Data Sheet Synonym: CAS: 3528-17-4 Section 1 - Chemical Product MSDS Name:Thiochroman-4-one 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3528-17-4 THIOCHROMAN-4-ONE, 97% 222-548-1 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. 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

安全

• 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

合成路线

海关

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%