14315-14-1 (5-甲基苯噻酚,5-methyl-1-benzothiophene)

CAS号:
14315-14-1
中文名称:
5-甲基苯噻酚
英文名称:
5-methyl-1-benzothiophene
分子式:
C9H8S
分子量:
148.224821090698

5-甲基苯噻酚(14315-14-1)名称与标识符

名称

中文别名:
5-甲基苯噻酚;5-甲基苯并噻吩;5-Methyl苯并(b)thiophene,certified 标准品;5-甲基苯[b]噻酚;5-甲基苯并[b]噻吩;依西司替巴脒;i>]噻吩;5-甲基苯噻酚,98%;
英文别名:
5-Methylbenzo[b]thiophene;5-Methylthianaphthene;5-Methylbenzo(b)thiophene;5-METHYLBENZOTHIOPHENE;Benzo[b]thiophene, 5-methyl-;5-methyl-1-benzothiophene;BUTTPARK 33\04-62;Benzothiophene, 5-mehyl;5-Methylbenzo[b]thiophene,98%;5-Methylbenzobüthiophene, 96%;5-methyl-benzo[b]thiophene;Benzo(b)thiophene, 5-methyl-;DOHZWDWNQFZIKH-UHFFFAOYSA-N;5-methyl-benzothiophene;5-methyl benzo[b]thiophene;5-Methyl-benzo[d]thiophene;DTXSID3074523;14315-14-1;AKOS006220490;A808027;SY009899;CS-0095170;M2974;W-205588;MFCD00052509;EINECS 238-256-2;CHEMBL235508;PS-4433;FT-0620644;NS00024656;SCHEMBL155613;F11127;DTXCID7034670;

标识符

MDL:
MFCD00052509
InChIKey:
DOHZWDWNQFZIKH-UHFFFAOYSA-N
Inchi:
1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
SMILES:
S1C=CC2C=C(C)C=CC1=2
BRN:
109866

5-甲基苯噻酚(14315-14-1)物化性质

实验特性

  • LogP : 3.20970
  • PSA : 28.24000
  • 折射率 : 1.6150 (estimate)
  • 水溶性 : Insoluble in water.
  • 沸点 : 67°C/0.6mmHg(lit.)
  • 熔点 : 35.0 to 39.0 deg-C
  • 闪点 : 71-73°C/0.6mm
  • 颜色与性状 : 白色固体
  • 溶解性 : 不能溶解的
  • 最大波长(λmax) : 303(Hexane)(lit.)
  • 密度 : 1,111 g/cm3

计算特性

  • 精确分子量 : 148.03500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 148.035
  • 重原子数量 : 10
  • 复杂度 : 122
  • 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) : 3.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 28.2

5-甲基苯噻酚(14315-14-1)国际标准相关数据

EINECS:
238-256-2

5-甲基苯噻酚(14315-14-1)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%

5-甲基苯噻酚(14315-14-1)推荐厂家 更多厂家(26)

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5-甲基苯噻酚(14315-14-1)合成路线

合成路线:1 步
反应条件:
参考文献:
Construction of polyaromatics via photocyclization of 2-(fur-3-yl)ethenylarenes, using a 3-furyl group as an isopropenyl equivalent synthon
Chen, Ying-Zhe; Ni, Ching-Wen; Teng, Fu-Lin; Ding, Yi-Shun; Lee, Tunng-Hsien; et al, Tetrahedron, 2014, 70(9), 1748-1762

5-甲基苯噻酚(14315-14-1)相关文献

5-甲基苯噻酚(14315-14-1)参考资料

Reaxys RN:
109866
Beilstein:
M158051
PubChem CID:

5-甲基苯噻酚(14315-14-1) MSDS

基础信息

Name:5-Methylbenzo[b]thiophene Material Safety Data Sheet
Synonym:None Known
CAS:14315-14-1
Section 1 - Chemical Product ? MSDS Name:5-Methylbenzo[b]thiophene Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
14315-14-15-Methylbenzo[b]thiophene98238-256-2
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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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 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# 14315-14-1: 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: Mass
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71 - 73 deg C @ 0.6 mmHg
Freezing/Melting Point: 33 - 35 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: C9H8S
Molecular Weight: 148.23

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Low melting point solid.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, strong acids.
Hazardous Decomposition Products:
Sulfur dioxide, carbon monoxide, carbon dioxide, sulfuric acid.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 14315-14-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Methylbenzo[b]thiophene - 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# 14315-14-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14315-14-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14315-14-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A