4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid

Basic Information

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CAS Number

875160-43-3

Molecular Formula

C6H6BrNO2

Molecular Weight

204.02 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

136-138°C

SMILES

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Cn1cc(Br)cc1C(=O)O

InChI

InChI=1S/C6H6BrNO2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)

InChIKey

NSZDZQRYBIAVQM-UHFFFAOYSA-N

LogP

1.4858

Topological Polar Surface Area

42.230000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

151

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid
4-bromo-1-methylpyrrole-2-carboxylic acid
4-Bromo-1-methyl-2-pyrrolecarboxylic Acid
NSZDZQRYBIAVQM-UHFFFAOYSA-N
STL373288
SBB093208
BBL030879
AK101071
SY021734
Z5238
ST24028907
Z166605558
4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (ACI)
4-Bromo-1-methylpyrrole-2-carboxylic acid

MDL Number

MFCD07838483

FAQ

What regulatory guidelines apply to 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3)?

4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), as well as the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. It is also regulated by the FDA and EPA concerning its use in pharmaceuticals and environmental safety, respectively. Proper handling, storage, and disposal should follow these guidelines to ensure compliance and safety.

Are there alternatives to 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) in synthesis?

There are several alternatives to 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) in synthesis, including 4-Iodo-1-methyl-1H-pyrrole-2-carboxylic acid and 4-Fluoro-1-methyl-1H-pyrrole-2-carboxylic acid. These compounds offer similar functionalities and can be used as substitutes in various synthetic routes. Common alternative reagents include bromine, iodine, and fluorine derivatives.

What is the market or research trend for 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3)?

The market for 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) is driven by its applications in pharmaceuticals and agrochemicals. Research trends indicate a growing interest in its use as a key intermediate for synthesizing new drugs and pesticides. Market dynamics suggest increasing demand due to its unique chemical properties, although price fluctuations may occur based on supply and demand in the chemical market.

How should waste containing 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) be handled?

Waste containing 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid (CAS: 875160-43-3) should be collected in appropriate containers and stored separately to prevent contamination. For disposal, incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Proper precautions include personal protective equipment and adherence to local and national environmental protection laws to minimize environmental impact.