107572-07-6

• 常用中文名：4－氯苯基(2－甲醛基苯基)硫醚
• 常用英文名：2-(4-chlorophenylthio)benzaldehyde
• CAS号：107572-07-6
• 分子式：C₁₃H₉ClOS
• 分子量：248.72800
• 发布时间：2018-04-16 08:00:00
• 更新时间：2024-01-20 00:35:20

名称

• 中文名: 2-ó(4-氯苯)硫代苯甲醛
• 英文名: 2-(4-chlorophenyl)sulfanylbenzaldehyde
• 中文别名: 2-(4-氯苯基硫代)苯甲醛
• 英文别名: 2-[(4-Chlorophenyl)thio]benzaldehyde; MFCD00051766

物化性质

• 密度: 1.31 g/cm3
• 沸点: 102-104°C 14mm
• 熔点: 71-74°C
• 分子式: C₁₃H₉ClOS
• 分子量: 248.72800
• 闪点: 102-104°C/14mm
• 精确质量: 248.00600
• PSA: 42.37000
• LogP: 4.30370
• 外观性状: 白色粉末
• 蒸汽压: 1.12E-05mmHg at 25°C
• 折射率: 1.654
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离空气，氧化剂。

• 稳定性:

  常温常压下稳定，避免与空气，氧化剂接触。

• 分子结构:

  1、摩尔折射率：69.27

  2、摩尔体积（cm³/mol）：188.7

  3、等张比容（90.2K）：514.1

  4、表面张力（dyne/cm）：55

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：27.46

  7、单一同位素质量：248.006263 Da

  8、标称质量：248 Da

  9、平均质量：248.728 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.1

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积42.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:226

  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）：71-74

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，14mmHg）：102-104

  7. 折射率(n20/D)：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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: 2-[(4-Chlorophenyl)thio]benzaldehyde 95+% Material Safety Data Sheet Synonym: CAS: 107572-07-6 Section 1 - Chemical Product MSDS Name:2-[(4-Chlorophenyl)thio]benzaldehyde 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 107572-07-6 2-[(4-Chlorophenyl)thio]benzaldehyde 95+% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Air sensitive. 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. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 107572-07-6: 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: pale yellow Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 102 - 104 deg C @14mmHg Freezing/Melting Point: 72 - 75 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: Insoluble. Specific Gravity/Density: Molecular Formula: C13H9ClOS Molecular Weight: 249 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 107572-07-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-[(4-Chlorophenyl)thio]benzaldehyde - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 107572-07-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 107572-07-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 107572-07-6 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

生态学数据: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S26-S36
• 海关编码: 2930909090

合成路线

864512-14-1 68-12-2 106-54-7 ~73% 107572-07-6

文献：Lin, Wenwei; Sapountzis, Ioannis; Knochel, Paul Angewandte Chemie - International Edition, 2005 , vol. 44, # 27 p. 4258 - 4261

446-52-6 106-54-7 ~61% 107572-07-6

文献：Mansawat, Woraluk; Saengswang, Ittiphol; U-prasitwong, Palita; Bhanthumnavin, Worawan; Vilaivan, Tirayut Tetrahedron Letters, 2007 , vol. 48, # 24 p. 4235 - 4238

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%