3-methyl-1H-pyrrole-2-carboxylic Acid

Basic Information

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CAS Number

90724-57-5

Molecular Formula

C6H7NO2

Molecular Weight

125.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

322.4℃ at 760 mmHg

Density

1.295

Flash Point

148.8℃

Refractive Index

1.586

SMILES

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CC1=C(NC=C1)C(=O)O

InChI

InChI=1S/C6H7NO2/c1-4-2-3-7-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)

InChIKey

YIVHOQIKHMTVRG-UHFFFAOYSA-N

LogP

1.02132

Topological Polar Surface Area

53.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

124

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

3-Methyl-1H-pyrrole-2-carboxylic acid
1H-Pyrrole-2-carboxylicacid, 3-methyl-
Pyrrole-2-carboxylic acid, 3-methyl-
Pyrrole-2-carboxylic acid, 3-methyl- (6CI,7CI)
3-methylpyrrole-2-carboxylic acid
3-Methyl-1H-pyrrole-2-carboxylicacid
YIVHOQIKHMTVRG-UHFFFAOYSA-N
STL227868
SY007678
AB0007717
W9332
ST24028578
ST45175036
VU0490360-1
A10811
724M575
Z2510258102
F
3-Methyl-1H-pyrrole-2-carboxylic acid (ACI)
Pyrrole-2-carboxylic acid, 3-methyl- (6CI, 7CI)
3-methyl-1H-pyrrole-2-carboxylic acid
Z1198173378
F2124-0051
3-methyl-1H-pyrrole-2-carboxylic Acid
CS-0036145
EN300-113442
DTXSID30427988
MFCD07440095
90724-57-5
2-Pyrrolecarboxylic acid, 3-methyl-
J-512828

MDL Number

MFCD07440095

FAQ

What regulatory guidelines apply to 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5)?

3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) is classified under the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals as a skin and eye irritant. It is subject to the European Union's Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) regulation for registration, evaluation, and restrictions. Additionally, it may be regulated by the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the United States for safety and environmental protection purposes.

Are there alternatives to 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) in synthesis?

While 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) is a valuable intermediate in organic synthesis, it can be synthesized using alternative reagents such as 3-methylpyrrole and carboxylic anhydride. Isomers like 2-methyl-1H-pyrrole-3-carboxylic acid may also be considered based on specific reaction requirements.

What is the market or research trend for 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5)?

The market for 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) reflects increasing interest in its use as a key intermediate in pharmaceutical and agrochemical industries. Research trends indicate a growing focus on its applications in developing novel drugs and pesticides. The pricing trend suggests a steady demand, with minor fluctuations due to supply chain and market dynamics.

How should waste containing 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) be handled?

Waste containing 3-methyl-1H-pyrrole-2-carboxylic Acid (CAS: 90724-57-5) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental precautions include minimizing spillage and ensuring the waste is treated or disposed of in compliance with local and international regulations. Proper training and protective equipment are essential for safe handling.