ethyl 4-bromo-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

5932-34-3

Molecular Formula

C6H7BrN2O2

Molecular Weight

219.04 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

531.6℃ at 760 mmHg

Density

1.094

Flash Point

275.3°C

Refractive Index

1.574

SMILES

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CCOC(=O)C1=C(C=NN1)Br

InChI

InChI=1S/C6H7BrN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9)

InChIKey

YTIXVTQCUMGIBZ-UHFFFAOYSA-N

LogP

1.3489

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

154

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

Ethyl 4-bromo-1H-pyrazole-3-carboxylate
ethyl 4-bromo-1H-pyrazole-5-carboxylate
1H-pyrazole-3-carboxylic acid, 4-bromo-, ethyl ester
YTIXVTQCUMGIBZ-UHFFFAOYSA-N
8835AB
PB14823
AM804103
AX8241056
AB0096017
ST24024934
ethyl 4-bromo-1H-pyr
ethyl 4-bromo-1H-pyrazole-3-carboxylate
SCHEMBL16235771
SCHEMBL15509199
AKOS025312354
DTXSID30348720
SY034539
InChI=1/C6H7BrN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9
DB-370391
MFCD10697501
ALBB-014848
A869221
ethyl4-bromo-1H-pyrazole-3-carboxylate
CS-B1046
Ethyl 4-Bromopyrazole-3-carboxylate
DS-11692
AKOS005174636
5932-34-3

MDL Number

MFCD10697501

Customs Code

2933199090

FAQ

What regulatory guidelines apply to ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3)?

Ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) falls under various regulatory guidelines. It must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for chemical classification and labelling. In the European Union, it is covered under REACH regulations for registration, evaluation, authorization, and restriction of chemical substances. For the USA, the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) have specific guidelines and requirements that must be followed. Additionally, it's crucial to adhere to local and national regulations regarding the storage, handling, and disposal of this compound.

Are there alternatives to ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) in synthesis?

There are several alternatives to ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) that can be used in synthesis. For example, bromoacetic acid and similar pyrazole derivatives can serve as effective substitutes. Other common alternatives include using other carboxylic acid derivatives or employing different functional group transformations. These alternatives offer similar reactivity profiles and can be chosen based on specific synthetic requirements and availability.

What is the market or research trend for ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3)?

The market and research trends for ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) are currently focused on its potential applications in pharmaceutical and agrochemical industries. Its unique chemical structure makes it a valuable intermediate in the synthesis of drugs and pesticides. Recent studies are exploring its role in medicinal chemistry, particularly in anti-inflammatory and antiviral treatments. The trend indicates growing interest and investment in research related to this compound, driven by its promising biological activities and potential for developing new therapeutic agents.

How should waste containing ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) be handled?

Waste containing ethyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 5932-34-3) should be handled according to proper waste management protocols. Collection of waste should be done in appropriate containers designed for hazardous chemicals. For incineration, ensure it is done in facilities equipped to handle hazardous waste. Professional waste disposal services should be used to ensure compliance with environmental regulations. Precautions include proper labeling, minimizing exposure to personnel, and ensuring that waste is not a source of contamination. Always consult local regulations and guidelines for specific disposal methods.