Methyl 4-(1H-pyrazol-5-yl)benzoate

Basic Information

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CAS Number

179057-10-4

Molecular Formula

C11H10N2O2

Molecular Weight

202.21 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

408.1±28.0°C at 760 mmHg

SMILES

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COC(=O)C1=CC=C(C=C1)C2=CC=NN2

InChI

InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-8(3-5-9)10-6-7-12-13-10/h2-7H,1H3,(H,12,13)

InChIKey

RFPPGYBZCWHENL-UHFFFAOYSA-N

LogP

1.8632999999999995

Topological Polar Surface Area

54.98 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

225

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

FT-0706005
AKOS015909870
179057-10-4
METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE
CS-0058755
A924882
Methyl 4-(1H-pyrazol-5-yl)benzoate
SCHEMBL182044
FT-0690133
MFCD19441397
RFPPGYBZCWHENL-UHFFFAOYSA-N
F52672
Benzoic acid, 4-(1H-pyrazol-3-yl)-, methyl ester
methyl 4-(1h-pyrazol-3-yl)benzoate
Methyl4-(1H-pyrazol-5-yl)benzoate
DS-7864
AKOS022186246
Benzoicacid, 4-(1H-pyrazol-3-yl)-, methyl ester
methyl 4-(1H-pyrazol-3-yl) benzoate
Methyl 4-(3-pyrazolyl)benzoate
1H-Imidazo[4,5-c]quinoline-1-butanamine, 2-hexyl-
4-(2-hexyl-1H-imidazo[4,5-c]quinolin-1-yl)butan-1-amine
4-(2-hexyl-1H-imidazo[4,5-c]quinolin-1-yl)-butan-1-amine
4-(2-hexyl-1H-imidazo[4,5-c]quinolin-1-yl)butylamine
4-(2H-pyrazol-3-yl)-benzoic acid methyl ether
CTK2A6602
methyl 4-(2H-pyrazol-3-yl)benzoate
SureCN3973623
AK144343
4-(2h-pyrazol-3-yl)benzoic acid methyl ester

MDL Number

MFCD11226146

FAQ

What regulatory guidelines apply to Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4)?

Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4) is subject to the Global Harmonized System (GHS) for classification and labeling of chemicals, as well as REACH regulations in the EU. In the United States, it must comply with FDA and EPA requirements for chemical safety and environmental protection.

Are there alternatives to Methyl 4-(1H-pyrazol-5-yl)benzoate in synthesis?

Alternatives to Methyl 4-(1H-pyrazol-5-yl)benzoate in synthesis include other pyrazole derivatives and benzoic acid analogs. Common alternative reagents include methyl pyrazole and benzoic acid, which can serve similar functional groups and provide different synthetic pathways.

What is the market or research trend for Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4)?

The market for Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4) is driven by its applications in pharmaceuticals and agrochemicals. Research trends show increasing focus on its potential as a medicinal chemical and as a component in new drug discovery processes, with growing demand in emerging markets.

How should waste containing Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4) be handled?

Waste containing Methyl 4-(1H-pyrazol-5-yl)benzoate (CAS: 179057-10-4) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection measures include proper labeling, minimizing spillage, and following local regulations for hazardous waste management.