17257-10-2 (5-(2-苯乙基-1-基)噻吩-2-甲醛,5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde)

快速询单

结构式：

5-(2-苯乙基-1-基)噻吩-2-甲醛MOL文件

CAS号：

17257-10-2

中文名称：

5-(2-苯乙基-1-基)噻吩-2-甲醛

英文名称：

5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde

分子式：

C₁₃H₈OS

分子量：

212.267022132874

5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2)名称与标识符

名称

中文别名：

5-(2-苯乙基-1-基)噻吩-2-甲苯;5-(2-苯乙基-1-基)噻吩-2-甲醛;

英文别名：

5-(Phenylethynyl)thiophene-2-carbaldehyde;2-Thiophenecarboxaldehyde,5-(2-phenylethynyl)-;5-(2-PHENYLETH-1-YNYL)THIOPHENE-2-CARBALDEHYDE;5-(2-phenylethynyl)thiophene-2-carbaldehyde;5-Phenylethynyl-thiophene-2-carbaldehyde;BUTTPARK 46\04-45;5-Phenylethynylthiophene-2-aldehyde;5-(Phenylethynyl)thiophene-2-carboxylate;5-(PHENYLETHYNYL)THIOPHENE-2-CARBOXALDEHYDE;5-(Phenylethynyl)-2-thenaldehyde, 2-Formyl-5-(phenylethynyl)thiophene;5-(Phenylethynyl)thiophene-2-carboxaldehyde97%;5-(Phenylethynyl)thiophene-2-carboxaldehyde 97%;BP-10493;AC-26511;2-formyl-5-(phenylethynyl)thiophene;AS-40124;C13H8OS;SCHEMBL1244010;17257-10-2;AKOS004120104;CHEMBL4472743;YFMUACLZRVJOBK-UHFFFAOYSA-N;5-(2-phenyleth-1-ynyl)thiophene-2-carbaldehyde, AldrichCPR;FT-0619599;MFCD00126374;W-206033;DTXSID00371868;DB-017611;2-Thiophenecarboxaldehyde, 5-(phenylethynyl)-;

标识符

MDL：

MFCD00126374

InChIKey：

YFMUACLZRVJOBK-UHFFFAOYSA-N

Inchi：

1S/C13H8OS/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H

SMILES：

S1C(C=O)=CC=C1C#CC1C=CC=CC=1

5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2)物化性质

实验特性

LogP : 2.96040
PSA : 45.31000
折射率 : 1.648
沸点 : 388.6°C at 760 mmHg
闪点 : 188.8°C
密度 : 1.24

计算特性

精确分子量 : 212.03000
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 212.03
重原子数量 : 15
复杂度 : 279
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） : 3.5
拓扑分子极性表面积 : 45.3A^2

5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2)安全信息

5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2)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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5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2)相关文献

1. Persistent azulene α-carbocations: synthesis from aldehydes, spectroscopic and crystallographic properties
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5-(2-苯乙基-1-基)噻吩-2-甲醛(17257-10-2) MSDS

基础信息

Name:	5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde 97% Material Safety Data Sheet
Synonym:	5-(Phenylethynyl)thiophene-2-carboxaldehyd
CAS:	17257-10-2

Section 1 - Chemical Product ? MSDS Name:5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde 97% Material Safety Data Sheet
Synonym:5-(Phenylethynyl)thiophene-2-carboxaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17257-10-2	5-(2-Phenyleth-1-ynyl)thiophene-2-carb	97%	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# 17257-10-2: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 93 - 95 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: C13H8OS
Molecular Weight: 212

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17257-10-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde - 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# 17257-10-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17257-10-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17257-10-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A