4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Basic Information

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CAS Number

122453-73-0

Molecular Formula

C15H11BrClF3N2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

100-104°C

Boiling Point

443.5 °C at 760 mmHg

Density

1.53±0.1 g/cm3(Predicted)

Flash Point

222 °C

Refractive Index

1.559

SMILES

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N#CC1=C(C2=CC=C(Cl)C=C2)N(COCC)C(C(F)(F)F)=C1Br

InChI

InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3

InChIKey

CWFOCCVIPCEQCK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

448

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H331 Toxic if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 (single dose) in male, female rats (mg/kg): 223, 459 orally; in rabbits: >2000 dermally (Lovell); LC50 in Japanese carp: 0.5 ppm (Lovell)

Synonyms & References

English

Chlorfenapyr
4-BROMO-2-(4-CHLOROPHENYL)-1-(ETHOXYMETHYL)-5-(TRIFLUOROMETHYL)-1H-PYRROL-3-CARBONITRILE
PIRATE
STALKER
4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile
4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethylpyrrole-3-carbonitrile
Alert
Citrex
Intrepid
Sunfire
AC 303630
1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-
chlorfenapyr (bsi, pa iso)
chlorfenapyr 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethylpyrrole-3-carbonitrile
CL 303630
Kotersu
Kotetsu
Pylon
4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Chlorfenapyr Solution
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Stealth
4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

MDL Number

MFCD01631152

FAQ

What is 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-Carbonitrile (CAS: 122453-73-0)?

4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122453-73-0) is a synthetic organic compound containing a pyrrole ring with multiple substituents. It features a bromo group, a chlorophenyl group, an ethoxymethyl group, and a trifluoromethyl group. This molecule is known for its complex structure and potential applications in medicinal chemistry due to its functional groups and reactivity.

What are the main uses of 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122453-73-0)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. Its unique combination of halogenated and substituted aromatic groups makes it valuable for studying biological activity and chemical reactivity. It is also used in organic synthesis and as a building block for creating more complex molecules in industrial and academic settings.

Is 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122453-73-0) safe?

Safety of 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122453-73-0) depends on exposure conditions. It is considered hazardous due to its chemical structure, and proper protective measures such as gloves, goggles, and ventilation are essential during handling. Safety data sheets (SDS) should be consulted for detailed guidelines.

How should 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122453-73-0) be stored?

This compound should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is typically kept in sealed glass containers to maintain stability. Storage conditions should be controlled to prevent degradation, and incompatible materials should be avoided to ensure safety and product integrity.