Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

Basic Information

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CAS Number

2199-44-2

Molecular Formula

C9H13NO2

Molecular Weight

167.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

122.0 to 126.0 deg-C

Boiling Point

272°C

Flash Point

116.4℃

Refractive Index

1.4680 (estimate)

SMILES

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CCOC(=O)C1=C(C=C(N1)C)C

InChI

InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H3

InChIKey

IZSBSZYFPYIJDI-UHFFFAOYSA-N

LogP

1.80824

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

170

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EN300-112858
Ethyl 3,5-dimethylpyrrole-2-carboxylate
NSC121772
3,5-dimethyl-1h-pyrrole-2-carboxylic acidethyl ester
W-206702
AC-2762
F1443-6137
EU-0066793
FS-1116
AKOS000320047
IDI1_011250
2,4-Dimethyl-5-carbethoxy-pyrrole
NSC-10763
Ethyl 3,5-dimethyl-2-pyrrolecarboxylate, 98%
2-Ethoxycarbonyl-3,5-dimethyl-1H-pyrrole
3,5-Dimethyl-2-pyrrolecarboxylic Acid Ethyl Ester
NSC 121772
Q63408983
3,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester
Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate #
Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
SDCCGMLS-0066154.P001
2199-44-2
SCHEMBL257250
IFLab1_005847
NSC10763
CS-D1225
NSC-121772
E0843
DTXSID40176410

MDL Number

MFCD00010645

Customs Code

2933990090

FAQ

What is Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 2199-44-2)?

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is an organic compound with the CAS number 2199-44-2. It is a colorless or light yellow liquid with a distinctive aroma. The compound has a molecular formula of C8H11NO2 and is used in various applications including pharmaceuticals and research.

What are the main uses of Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 2199-44-2)?

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is primarily used as a raw material in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in research for its unique chemical properties and in the formulation of certain food additives.

Is Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 2199-44-2) safe?

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 2199-44-2) is generally considered safe when handled with proper protective measures. Users should avoid inhalation of vapors and contact with skin and eyes. Adequate ventilation and personal protective equipment are recommended during handling.

How should Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 2199-44-2) be stored?

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate should be stored in a cool, dry place away from direct sunlight and heat sources. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 50%. It should be kept in a tightly sealed, amber-glass container to protect it from light exposure.