Ethyl 5-cyano-1-benzothiophene-2-carboxylate

Modify Date: 2024-01-09 18:36:02

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure
Ethyl 5-cyano-1-benzothiophene-2-carboxylate structure
Common Name Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CAS Number 105191-14-8 Molecular Weight 231.27000
Density 1.31g/cm3 Boiling Point 392.279ºC at 760 mmHg
Molecular Formula C12H9NO2S Melting Point N/A
MSDS N/A Flash Point 191.044ºC

 Names

Name Ethyl 5-cyano-1-benzothiophene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 392.279ºC at 760 mmHg
Molecular Formula C12H9NO2S
Molecular Weight 231.27000
Flash Point 191.044ºC
Exact Mass 231.03500
PSA 78.33000
LogP 2.94968
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.629

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Ethyl 5-cyano-1-benzothiophene-2-carboxylate
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CAS number:105191-14-8

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C12H9NO2S
Molecular weight:231.3

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2934999090

 Synthetic Route

~74%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Dann, Otto; Char, Helmut; Fleischmann, Paul; Fricke, Helmut Liebigs Annalen der Chemie, 1986 , # 3 p. 438 - 455

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Daiichi Pharmaceutical Co., Ltd. Patent: US5576343 A1, 1996 ; US 5576343 A

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: C and C Research Laboratories Patent: US6201006 B1, 2001 ;

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Ono, Shin'ichiro; Yoshida, Tomohiro; Maeda, Kazuhiro; Kosaka, Keigo; Inoue, Yoshihisa; Imada, Teruaki; Fukaya, Chikara; Nakamura, Norifumi Chemical and Pharmaceutical Bulletin, 1999 , vol. 47, # 12 p. 1694 - 1712

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Ono, Shin'ichiro; Yoshida, Tomohiro; Maeda, Kazuhiro; Kosaka, Keigo; Inoue, Yoshihisa; Imada, Teruaki; Fukaya, Chikara; Nakamura, Norifumi Chemical and Pharmaceutical Bulletin, 1999 , vol. 47, # 12 p. 1694 - 1712

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Dann, Otto; Char, Helmut; Fleischmann, Paul; Fricke, Helmut Liebigs Annalen der Chemie, 1986 , # 3 p. 438 - 455

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Dann, Otto; Char, Helmut; Fleischmann, Paul; Fricke, Helmut Liebigs Annalen der Chemie, 1986 , # 3 p. 438 - 455

~%

Ethyl 5-cyano-1-benzothiophene-2-carboxylate Structure

Ethyl 5-cyano-1...

CAS#:105191-14-8

Literature: Dann, Otto; Char, Helmut; Fleischmann, Paul; Fricke, Helmut Liebigs Annalen der Chemie, 1986 , # 3 p. 438 - 455

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

ethyl 5-cyano-2,6-dichloronicotinate
5-Cyanbenzo<b>thiophen-2-carbonsaeure-ethylester
3-Pyridinecarboxylic acid,2,6-dichloro-5-cyano-,ethyl ester
ETHYL 2,6-DICHLORO-5-CYANONICOTINATE
2,6-DICHLORO-5-CYANO-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER