Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Basic Information

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CAS Number

138907-68-3

Molecular Formula

C12H12FN3O2

Molecular Weight

249.25 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 Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

149-150 °C

SMILES

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CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N

InChI

InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3

InChIKey

RPPPCKSHIYWAPW-UHFFFAOYSA-N

LogP

1.7703

Topological Polar Surface Area

70.14 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

295

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

OSM-S-243
J-521088
5-amino-1-(4-fluoro-phenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
AMY12008
Maybridge1_006170
SY062533
AB04379
CS-0074803
RPPPCKSHIYWAPW-UHFFFAOYSA-N
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
SCHEMBL1195022
ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
ethyl 5-amino-1-(4-fluoro-phenyl)-1h-pyrazole-4-carboxylate
138907-68-3
5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
FT-0626119
RH 00119
4W-0244
DTXSID60350952
F2164-0009
HMS559A10
BB 0219132
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
AKOS000259993
EN300-16283
CHEMBL1319763
MLS001017570
HMS2591M19
SMR000353810
MFCD00173917
Z55148901

MDL Number

MFCD00173917

Customs Code

2933199090

FAQ

What regulatory guidelines apply to Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3)?

Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) is subject to the Global Harmonized System (GHS) for classification and labeling of chemicals. In Europe, it falls under the Regulation (EC) No 1907/2006, known as REACH, requiring manufacturers and importers to register substances with the European Chemicals Agency (ECHA). The FDA and EPA in the United States may also require specific documentation and testing for registration and handling under the Toxic Substances Control Act (TSCA) and other environmental regulations.

Are there alternatives to Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) in synthesis?

There are several alternatives to Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) that can be used in synthesis, including analogs like 4-(5-amino-1H-pyrazol-4-yl)benzoic acid and similar substituted pyrazoles. Common alternative reagents include 5-amino-1H-pyrazole-4-carboxylic acid and 4-fluorobenzenesulfonyl chloride, which can be used in related synthetic pathways.

What is the market or research trend for Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3)?

The market for Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) is driven by its use in pharmaceutical and agrochemical industries. Research trends are focusing on its potential as a lead compound for new drug development, particularly in antiviral and anticancer therapies. Recent studies have also explored its role in crop protection and pest control, indicating growing interest in its applications.

How should waste containing Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) be handled?

Waste containing Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-68-3) should be collected in designated containers and handled according to local and international regulations. Proper incineration or professional waste disposal services should be utilized to ensure compliance with environmental standards. Precautions should include appropriate personal protective equipment (PPE) and the use of neutralizing agents if necessary. It is important to consult with a waste management expert or regulatory body for specific guidelines.