1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole

Basic Information

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CAS Number

119006-77-8

Molecular Formula

C22H16F2N2

Molecular Weight

346.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

161-166℃

SMILES

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C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4

InChI

InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H

InChIKey

QHMWCHQXCUNUAK-UHFFFAOYSA-N

LogP

5.001500000000004

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

445

Safety Information

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Toxicity

LD50 in male, female mice, male, female rats (mg/kg): >1000, >1000, 808, 1214 orally; >2000, >2000, 1079, 1446 i.p. (Vericat)

Synonyms & References

English

Flutrimazole [INN:BAN]
SCHEMBL154962
1H-Imidazole, 1-[(2-fluorophenyl)(4-fluorophenyl)phenylmethyl]-
BCP06210
Spectrum5_001485
(S)-1-((2-fluorophenyl)(4-fluorophenyl)(phenyl)methyl)-1H-imidazole
CHEMBL2107430
IDI1_000714
KBioSS_002100
1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole, AldrichCPR
UNII-776S0UP252
CS-0103421
Spectrum2_001606
DivK1c_000714
Flutrimazole; (RS)-1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole
SY024110
Flutrimazole (INN)
CHEBI:82864
IDI1_001036
FLUTRIMAZOLE [WHO-DD]
FT-0631093
119006-77-8
MFCD00865591
CS-11531
flutrimazole
DB13425
D07193
Micetal
1H-Imidazole, 1-((2-fluorophenyl)(4-fluorophenyl)phenylmethyl)-
776S0UP252
QTL1_000038

MDL Number

MFCD00865591

FAQ

What are the physical and chemical properties of 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole (CAS: 119006-77-8)?

The compound 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole is a crystalline solid with a molecular weight of approximately 483.26 g/mol. It is slightly soluble in water but more soluble in organic solvents. The compound exhibits moderate reactivity, particularly in the presence of acids or bases. It has a pKa of around 7.2 and is stable under normal laboratory conditions.

How is 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole (CAS: 119006-77-8) typically synthesized?

1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole is synthesized through a multi-step process involving the coupling of fluoro-phenyl derivatives with imidazole. Commonly used catalysts include palladium-based compounds. The reaction typically yields a mixture of isomers, and purification is achieved through column chromatography or recrystallization. The overall yield ranges from 60% to 80%.

What industries use 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole (CAS: 119006-77-8)?

1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole finds applications in the pharmaceutical industry, particularly in the development of antifungal and antibacterial drugs. It is also used in the polymer industry for enhancing the properties of certain materials. Additionally, this compound is explored in the sensor industry for its potential in detecting specific chemical compounds.

What precautions should be taken when handling 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole (CAS: 119006-77-8)?

Proper handling of 1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, it should be handled in a fume hood to minimize exposure. The Safety Data Sheet (SDS) should be consulted for detailed handling and disposal guidelines.