3-甲基苯并[b]噻吩-2-乙酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-甲基苯并[b]噻吩-2-乙酸 基本信息

中文名称:
3-甲基苯并[b]噻吩-2-乙酸 
中文别名:
3-甲基苯并[B]噻吩-2-乙酸;
3-甲基苯并[b]噻吩-2-乙酸 
英文名称:
Benzo[b]thiophene-2-aceticacid, 3-methyl-
英文别名:
2-(3-methyl-1-benzothiophen-2-yl)acetic acid;
3-Methylbenzo[b]thiophene-2-acetic acid 
CAS No.:
1505-52-8
分 子 式:
C11H10O2S
分 子 量:
206.25
精确分子量:
206.04000
PSA:
65.54000
MDL:
MFCD00052299
InChI:
The Key: MFVMWBIORCNCNB-UHFFFAOYSA-N
危险品标志:
Xi:Irritant
风险术语:
R36/37/38;
安全术语:
S26; S37/39;
分子结构式:
SDS:
查看

3-甲基苯并[b]噻吩-2-乙酸 物化性质

密度:
1.315g/cm3
熔点:
148-150°C
沸点:
391.8ºC at 760mmHg
闪点:
190.8ºC
蒸汽压:
7.65E-07mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物、碱

其它信息:

1.       性状:固体。

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):148-150

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

3-甲基苯并[b]噻吩-2-乙酸 安全信息

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xi:Irritant;

3-甲基苯并[b]噻吩-2-乙酸 毒理性

生态数据:

对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境

3-甲基苯并[b]噻吩-2-乙酸 MSDS

Name: 2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid 97% Material Safety Data Sheet
Synonym:
CAS: 1505-52-8
Section 1 - Chemical Product   MSDS Name:2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1505-52-8 2-(3-Methylbenzo[b]thiophen-2-yl)aceti 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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# 1505-52-8: 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: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 - 150 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: C11H10O2S
Molecular Weight: 206

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, bases, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1505-52-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid - 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: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1505-52-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1505-52-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1505-52-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-甲基苯并[b]噻吩-2-乙酸 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%

3-甲基苯并[b]噻吩-2-乙酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:58.41

2、   摩尔体积m3/mol156.7

3、   等张比容90.2K430.3

4、   表面张力dyne/cm: 56.7

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:23.15

计算化学数据

1、   疏水参数计算参考值(XlogP):3.9

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:1

5、   拓扑分子极性表面积(TPSA):40.1

6、   重原子数量:14

7、   表面电荷:-1

8、   复杂度:224

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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