Diethyl 1H-imidazole-4,5-dicarboxylate

Modify Date: 2024-01-14 19:27:48

Diethyl 1H-imidazole-4,5-dicarboxylate Structure
Diethyl 1H-imidazole-4,5-dicarboxylate structure
Common Name Diethyl 1H-imidazole-4,5-dicarboxylate
CAS Number 1080-79-1 Molecular Weight 212.20300
Density 1.249 g/cm3 Boiling Point 357.9ºC at 760 mmHg
Molecular Formula C9H12N2O4 Melting Point 210-216ºC
MSDS N/A Flash Point 170.2ºC

 Names

Name Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.249 g/cm3
Boiling Point 357.9ºC at 760 mmHg
Melting Point 210-216ºC
Molecular Formula C9H12N2O4
Molecular Weight 212.20300
Flash Point 170.2ºC
Exact Mass 212.08000
PSA 81.28000
LogP 0.76310
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.605

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
CAS number:1080-79-1

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.
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:C9H12N2O4
Molecular weight:212.2

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

Hazard Codes Xi
HS Code 2933290090

 Synthetic Route

~46%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Kyowa Hakko Kogyo Co., Ltd. Patent: US5053408 A1, 1991 ;

~85%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Malik, Chanchal K.; Das, Rajat S.; Basu, Ashis K. Journal of Labelled Compounds and Radiopharmaceuticals, 2013 , vol. 56, # 8 p. 376 - 381

~%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: EP2298763 A1, ; Page/Page column 27-28 ; EP 2298763 A1

~60%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Daiichi Sankyo Company, Limited Patent: EP2298763 A1, 2011 ; Location in patent: Page/Page column 31 ; EP 2298763 A1

~94%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Ivanov, E. I.; Bogatskii, A. V.; Abramovich, A. E. Doklady Chemistry, 1980 , vol. 255, p. 516 - 518 Dokl. Akad. Nauk SSSR Ser. Khim., 1980 , vol. 255, # 2 p. 359 - 361

~%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Journal of the American Chemical Society, , vol. 74, p. 1084

~%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: EP2298763 A1, ; EP 2298763 A1

~%

Diethyl 1H-imidazole-4,5-dicarboxylate Structure

Diethyl 1H-imid...

CAS#:1080-79-1

Literature: Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica, , vol. 49, p. 599,601, 602

 Customs

HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Diethyl 1H-imidazole-4,5-dicarboxylate
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