98800-10-3 (噻吩并[3,2-b]噻吩-2-羧酸甲酯,Methyl Thieno3,2-bthiophene-2-carboxylate)

CAS号:
98800-10-3
中文名称:
噻吩并[3,2-b]噻吩-2-羧酸甲酯
英文名称:
Methyl Thieno3,2-bthiophene-2-carboxylate
分子式:
C8H6O2S2
分子量:
198.262039661407

噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3)名称与标识符

名称

中文别名:
噻吩[3,2-B]并噻吩-2-甲酸甲酯;噻吩并[3,2-b]噻吩-2-甲酸甲酯;噻吩并[3,2-b]噻吩-2-羧酸甲酯;噻吩并[3,2-b!噻吩-2-羧酸甲酯;
英文别名:
Methyl thieno[3,2-b]thiophene-2-carboxylate;methyl thieno[3,2-b]thiophene-5-carboxylate;Thieno[3,2-b]thiophene-2-carboxylicacid, methyl ester;HMS562F20;methyl 3-thieno[3,2-b]thiophene-2-carboxylate;methyl thieno<thiophene-2-carboxylate;methylthienobthiophenecarboxylate;Thieno<3,2-b>thiophen-2-carbonsaeure-methylester;thienothiophene methyl ester;Thieno[3,2-b]thiophene-2-carboxylic Acid Methyl Ester;Maybridge1_007346;C8H6O2S2;VCLNJFSCOKHCEJ-UHFFFAOYSA-N;KM3486;6925AC;SBB092332;M3001;methyl thiopheno[2,3-d]thiophene-2-carboxylate;DTXSID50372340;MFCD01934498;SCHEMBL9432718;METHYL THIENO[3,2-B!THIOPHENE-2-CARBOXYLATE, 97;CS-0378237;AKOS005072024;98800-10-3;FT-0628811;YDA80010;AC-27449;J-522639;CB-0831;F20567;A855127;AMY10755;DA-16826;

标识符

MDL:
MFCD01934498
InChIKey:
VCLNJFSCOKHCEJ-UHFFFAOYSA-N
Inchi:
1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3
SMILES:
S1C(C(=O)OC)=CC2=C1C=CS2

噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3)物化性质

实验特性

  • LogP : 2.74940
  • PSA : 82.78000
  • 折射率 : 1.673
  • 沸点 : 306.1±22.0 °C at 760 mmHg
  • 熔点 : 96.0 to 100.0 deg-C
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 138.9±22.3 °C
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 197.98100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 197.98092178g/mol
  • 重原子数量 : 12
  • 复杂度 : 196
  • 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) : 2.9
  • 拓扑分子极性表面积 : 82.8

噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3)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%

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噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3)相关文献

  • 1. Synthesis of thieno-[2,3-b]-, -[3,2-b]- and -[3,4-b]-thiophenes and thieno-[3′,2′:4,5]-, -[2′,3′:4,5]- and -[3′,4′:4,5]-thieno[3,2-d]pyrimidin-7(6H)-ones starting from thiophene
    David W. Hawkins,Brian Iddon,Darren S. Longthorne,Peter J. Rosyk J. Chem. Soc. Perkin Trans. 1 1994 2735

噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3)参考资料

Reaxys RN:
140496
PubChem CID:

噻吩并[3,2-b]噻吩-2-羧酸甲酯(98800-10-3) MSDS

基础信息

Name:Methyl thieno[3 2-b]thiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:98800-10-3
Section 1 - Chemical Product ? MSDS Name:Methyl thieno[3 2-b]thiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
98800-10-3Methyl thieno[3,2-b]thiophene-2-carbox97%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
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. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 98800-10-3: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94 - 96 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: C8H6O2S2
Molecular Weight: 198.27

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 98800-10-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl thieno[3,2-b]thiophene-2-carboxylate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 98800-10-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 98800-10-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98800-10-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A