22068-49-1
22068-49-1结构式
- 常用中文名：4-(1,3-二硫戊环)苯酚
- 常用英文名：Phenol,4-(1,3-dithiolan-2-yl)-
- CAS号：22068-49-1
- 分子式：C9H10OS2
- 分子量：198.30500
- 发布时间：2018-02-18 08:00:00
- 更新时间：2024-01-04 12:14:55
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| 中文名 | 4-(1,3-二硫戊环)苯酚 |
|---|---|
| 英文名 | 4-(1,3-dithiolan-2-yl)phenol |
| 中文别名 | 4-(1,3-二硫烷-2-基)苯酚 |
| 英文别名 |
Phenol,p-(1,3-dithiolan-2-yl)
1,3-Dithiolane,2-(4-hydroxyphenyl) 4-[1,3]dithiolan-2-yl-phenol MFCD00068127 4-hydroxyphenyl-1,3-dithiolane p-(1,3-Dithiolan-2-yl)phenol 2-(4-hydroxyphenyl)-1,3-dithiolane |
| 密度 | 1.319g/cm3 |
|---|---|
| 沸点 | 376.4ºC at 760mmHg |
| 熔点 | 114 °C |
| 分子式 | C9H10OS2 |
| 分子量 | 198.30500 |
| 闪点 | 183ºC |
| 精确质量 | 198.01700 |
| PSA | 70.83000 |
| LogP | 2.87080 |
| 蒸汽压 | 3.35E-06mmHg at 25°C |
| 折射率 | 1.675 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 如果遵照规格使用和储存则不会分解 避免接触氧化物 |
| 分子结构 | 1、 摩尔折射率：56.48 2、 摩尔体积(cm3/mol)：150.2 3、 等张比容(90.2K)：419.6 4、 表面张力(dyne/cm)：60.7 5、 极化率(10-24cm3)：22.39 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.6 2.氢键供体数量:1 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:2 6.拓扑分子极性表面积70.8 7.重原子数量:12 8.表面电荷:0 9.复杂度:138 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：未确定 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）：117-119 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：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（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: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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: 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# 22068-49-1: 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 114 - 116 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: C9H10OS2 Molecular Weight: 198 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases, amines. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22068-49-1: SL3540500 LD50/LC50: Not available. Carcinogenicity: 4-(1,3-Dithiolan-2-yl)phenol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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. R 36/37/38 Irritating to eyes, respiratory system and skin. 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. WGK (Water Danger/Protection) CAS# 22068-49-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22068-49-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22068-49-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 急性毒性;大鼠腹腔LD50：900 mg/kg 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22;R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2934999090 |
|
~98%
22068-49-1 |
| 文献：Hajipour, Abdol Reza; Pourmousavi, Seied A.; Ruoho, Arnold E. Synthetic Communications, 2008 , vol. 38, # 15 p. 2548 - 2566 |
|
~85%
22068-49-1 |
| 文献：Bandgar, Babasaheb P.; Uppalla, Lavkumar S.; Sadavarte, Vaibhav S.; Patil, Suresh V. New Journal of Chemistry, 2002 , vol. 26, # 10 p. 1273 - 1276 |
|
~97%
22068-49-1 |
| 文献：Naik, Sarala; Gopinath, Rangam; Goswami, Mousumi; Patel, Bhisma K. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 11 p. 1670 - 1677 |
|
~99%
22068-49-1 |
| 文献：Naik, Sarala; Gopinath, Rangam; Goswami, Mousumi; Patel, Bhisma K. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 11 p. 1670 - 1677 |
|
~91%
22068-49-1 |
| 文献：Pourmousavi, Seied Ali; Hadavankhani, Majid; Zinati, Zahra E-Journal of Chemistry, 2011 , vol. 8, # SUPPL. 1 p. S495-S501 |
|
~91%
22068-49-1 |
| 文献：Chankeshwara, Sunay V.; Chebolu, Rajesh; Chakraborti, Asit K. Journal of Organic Chemistry, 2008 , vol. 73, # 21 p. 8615 - 8618 |
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~%
22068-49-1
详细
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| 文献：Bulletin of the Chemical Society of Japan, , vol. 54, # 7 p. 2120 - 2123 |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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 | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |