1505-52-8 (3-甲基苯并[b]噻吩-2-乙酸,2-(3-methyl-1-benzothiophen-2-yl)acetic acid)

快速询单

结构式：

3-甲基苯并[b]噻吩-2-乙酸MOL文件

CAS号：

1505-52-8

中文名称：

3-甲基苯并[b]噻吩-2-乙酸

英文名称：

2-(3-methyl-1-benzothiophen-2-yl)acetic acid

分子式：

C₁₁H₁₀O₂S

分子量：

206.260901927948

3-甲基苯并[b]噻吩-2-乙酸(1505-52-8)名称与标识符

名称

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,97%;

英文别名：

2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid;3-Methylbenzo[b]thiophene-2-acetic acid;2-(3-methyl-1-benzothiophen-2-yl)acetic acid;3-METHYLTHIANAPHTHENE-2-ACETIC ACID;BUTTPARK 97\57-75;2-(3-METHYLBENZOTHIOPHEN-2-YL)ACETIC ACID;Z1269128994;Benzo[b]thiophene-2-acetic acid, 3-methyl-;HMS556L22;MFVMWBIORCNCNB-UHFFFAOYSA-N;MFCD00052299;AS-65625;AKOS002305970;SCHEMBL586189;Benzo[b]thiophene-2-aceticacid,3-methyl-;3-methylbenzo[b]-thiophene-2-acetic acid;N-HYDROXY-2-NAPHTHALENECARBOXIMIDAMIDE;FT-0608557;Oprea1_711047;Maybridge1_005368;3-Methylthianaphthene-2-acetic acid, AldrichCPR;1505-52-8;DTXSID20381580;EN300-8675804;G19204;

标识符

MDL：

MFCD00052299

InChIKey：

MFVMWBIORCNCNB-UHFFFAOYSA-N

Inchi：

1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13)

SMILES：

S1C2C=CC=CC=2C(C)=C1CC(=O)O

3-甲基苯并[b]噻吩-2-乙酸(1505-52-8)物化性质

实验特性

LogP : 2.83680
PSA : 65.54000
沸点 : 391.8°Cat760mmHg
熔点 : 148-150°C
闪点 : 190.8°C
颜色与性状 : 固体。
溶解性 : 未确定
密度 : 1.315

计算特性

精确分子量 : 206.04000
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 206.04
重原子数量 : 14
复杂度 : 224
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.9
表面电荷 : -1
拓扑分子极性表面积 : 40.1

3-甲基苯并[b]噻吩-2-乙酸(1505-52-8)安全信息

3-甲基苯并[b]噻吩-2-乙酸(1505-52-8)海关数据

海关编码：

2934999090

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

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(1505-52-8)推荐厂家更多厂家(4)

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3-甲基苯并[b]噻吩-2-乙酸(1505-52-8) MSDS

基础信息

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