Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate

Basic Information

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CAS Number

2199-51-1

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

Light-red to Brown Solid

Melting Point

74.0 to 78.0 deg-C

Boiling Point

162°C/11mmHg

Flash Point

129.8 °C

Refractive Index

1.4680 (estimate)

SMILES

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CCOC(=O)C1=C(NC=C1C)C

InChI

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

InChIKey

QWSFDUPEOPMXCV-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

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

HMS2653H13
SB21669
EN300-17441
SMR000342505
2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethylester
CS-W005791
2199-51-1
Ethyl 2,4-dimethylpyrrole-3-carboxylate
SCHEMBL1316433
QWSFDUPEOPMXCV-UHFFFAOYSA-N
A4721
BCP27291
FT-0649097
W-201903
2,4-Dimethyl-3-carbethoxy-pyrrole
CHEMBL1999809
2,4-dimethylpyrrole-3-carboxylic acid ethyl ester
NSC-13425
E1075
NSC 13425
InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H
PB24722
NCGC00246080-01
2,4-dimethyl-3-carbethoxypyrrole
AC-1930
SY034114
1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
F9995-0105
ethyl2,4-dimethyl-1H-pyrrole-3-carboxylate
NS00027018
MLS000516371

MDL Number

MFCD01365811

Customs Code

2933990090

FAQ

What is Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-51-1)?

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate is an organic compound with the chemical formula C10H13NO2. It is a pyrrole derivative characterized by a five-membered ring with two methyl groups and a carboxylate ester group. This compound is known for its stability and is commonly used in chemical synthesis due to its versatile reactivity and functional group compatibility.

What are the main uses of Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-51-1)?

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate is primarily used in pharmaceutical research for the development of drugs and as an intermediate in the synthesis of various organic compounds. It also finds applications in the chemical industry for producing specialty chemicals and in research settings for studies involving pyrrole-based molecules and their derivatives.

Is Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-51-1) safe?

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin and eye irritation. Safety measures include using appropriate personal protective equipment (PPE) and working in a well-ventilated area. It is important to follow standard chemical safety protocols to minimize exposure risks.

How should Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-51-1) be stored?

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and direct light. Proper storage helps prevent degradation and ensures the compound remains safe and effective for use.