英语词典化工词典

5-Acetyl-2,2-bithienyl

5-Acetyl-2,2-bithienyl

  • 中文别名：5-乙酰基-2,2-噻吩基
  • 中文释义：5-乙酰基-2,2-噻吩基;3,4-二甲基噻吩;5-乙酰基-2,2-联噻吩
  • 英文别名：1-(5-thiophen-2-ylthiophen-2-yl)ethanone;
    2-acetyl-5-(2-thienyl)thiophene;
    5-(2,2'-bithienyl) methyl ketone;
    5-Acetyl-2,2‘-bithienyl;
    1-(2,2'-Bithiophen-5-yl)ethanone;
    1-(2,2'-bithiophenyl-5-yl)ethanone;
    5-ACETYL-2,2'-BITHIENYL;
    5-acetyl-2,2'-bithiophene;
    1-(2,2'-dithiophene-5-yl)ethanone;
    2-acetyl-5-(thien-2-yl)thiophene 
  • CAS No.：3515-18-2
  • 分子式：C10H8OS2
  • 分子量：208.3
  • 精确分子量：208.00200
  • PSA：73.55000
  • InChI：InChI=1/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3
  • 分子结构式：

物化性质

外观与性状：
黄色至黄色-绿色粉末
密度：
1.26g/cm3
熔点：
109-114ºC
沸点：
363.4ºC at 760mmHg
闪点：
173.6ºC
折射率：
1.614
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。冷藏温度4ºC。

稳定性相关：

常温常压下稳定，避免与不相容材料接触。

5-乙酰基-2,2-噻吩基 安全信息

海关代码：
2934999090
危险类别码：
R36/37/38
安全说明：
36/37/39-26-22
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xn: Harmful;

安全信息

外观与性状：
黄色至黄色-绿色粉末
密度：
1.26g/cm3
熔点：
109-114ºC
沸点：
363.4ºC at 760mmHg
闪点：
173.6ºC
折射率：
1.614
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。冷藏温度4ºC。

稳定性相关：

常温常压下稳定，避免与不相容材料接触。

5-乙酰基-2,2-噻吩基 安全信息

海关代码：
2934999090
危险类别码：
R36/37/38
安全说明：
36/37/39-26-22
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xn: Harmful;

毒理性

生态数据：

对环境有危害，对水体有污染，禁止进入水体。

MSDS

Name: 5-Acetyl-2 2 -Bithienyl Material Safety Data Sheet
Synonym: None Known
CAS: 3515-18-2
Section 1 - Chemical Product   MSDS Name:5-Acetyl-2 2 -Bithienyl Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3515-18-2 5-Acetyl-2,2'-Bithienyl ca. 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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:
No information found.
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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)
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# 3515-18-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: yellowish
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 114 - 115 deg C @ 760 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H8OS2
Molecular Weight: 208.30
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3515-18-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Acetyl-2,2'-Bithienyl - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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# 3515-18-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3515-18-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3515-18-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2934999090

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
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:3

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积73.6

7.重原子数量:13

8.表面电荷:0

9.复杂度:205

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

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