65016-61-7 (3-正庚基噻吩,3-Heptylthiophene)

CAS号:
65016-61-7
中文名称:
3-正庚基噻吩
英文名称:
3-Heptylthiophene
分子式:
C11H18S
分子量:
182.3256
相关分类:

3-正庚基噻吩(65016-61-7)名称与标识符

名称

中文别名:
3-庚基噻吩;3-Heptylthiophene 3-庚基噻吩;3-庚基硫砜;3-正庚基噻吩;
英文别名:
3-Heptylthiophene;3-n-Heptylthiophene;Thiophene, 3-heptyl-;3-n-Heptylthiophene1000µg;27B6L18UYC;IUUMHORDQCAXQU-UHFFFAOYSA-;C11H18S;IUUMHORDQCAXQU-UHFFFAOYSA-N;9953AB;VT20230;TRA0016335;AK122364;AX8088446;

标识符

MDL:
MFCD00130131
InChIKey:
IUUMHORDQCAXQU-UHFFFAOYSA-N
Inchi:
1S/C11H18S/c1-2-3-4-5-6-7-11-8-9-12-10-11/h8-10H,2-7H2,1H3
SMILES:
S1C([H])=C([H])C(=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

3-正庚基噻吩(65016-61-7)物化性质

实验特性

  • LogP : 4.26100
  • PSA : 28.24000
  • 折射率 : 1.4925-1.4945
  • 沸点 : 140°C/33mmHg
  • 熔点 : -29.15°C (estimate)
  • 蒸气压 : 0.0±0.5 mmHg at 25°C
  • 闪点 : 73.4±4.9 °C
  • 颜色与性状 : 无色透明或者黄色液体。
  • 溶解性 : 未确定。
  • 密度 : 0.916

计算特性

  • 精确分子量 : 182.11300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 6
  • 重原子数量 : 12
  • 复杂度 : 101
  • 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) : 5.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 28.2

3-正庚基噻吩(65016-61-7)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-正庚基噻吩(65016-61-7)推荐厂家 更多厂家(17)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
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上海一基实业有限公司 13311756131
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南通众合化工新材料有限公司 18762756250
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南通众合化工新材料有限公司 18762756250
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南通众合化工新材料有限公司 18762756250
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赫澎(上海)生物科技有限公司 13122891558
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3-正庚基噻吩(65016-61-7)相关文献

3-正庚基噻吩(65016-61-7)参考资料

Reaxys RN:
6382994
Beilstein:
MFCD00130131
PubChem CID:

3-正庚基噻吩(65016-61-7) MSDS

基础信息

Name:3-Heptylthiophene 97% Material Safety Data Sheet
Synonym:
CAS:65016-61-7
Section 1 - Chemical Product ? MSDS Name:3-Heptylthiophene 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
65016-61-73-Heptylthiophene97%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. Will burn if involved in a fire. Flammable liquid and vapor.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition.
Use a spark-proof tool.

Section 7 - HANDLING and STORAGE
? Handling:
Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas.
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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 65016-61-7: 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: Liquid
Color: clear colorless to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 106-107 deg C @ 3 m
Freezing/Melting Point: Not available.
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: .9160g/cm3
Molecular Formula: C11H18S
Molecular Weight: 182.33

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 65016-61-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Heptylthiophene - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 65016-61-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 65016-61-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 65016-61-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A