1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (1:1) | CAS No. 77174-66-4

1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (1:1)

Basic Information

CAS Number

77174-66-4

Molecular Formula

C18H16Cl2N2O

Molecular Weight

347.25 g/mol

AD

Basic Physical Properties

Melting Point

142-150°C

C=C(C1=CC=CC=C1OCC2=CC(=CC=C2)Cl)N3C=CN=C3.Cl

InChI

InChI=1S/C18H15ClN2O.ClH/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15;/h2-11,13H,1,12H2;1H

InChIKey

LWJUIYYIILPRRI-UHFFFAOYSA-N

LogP

5.056300000000004

Topological Polar Surface Area

27.05 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

376

Safety Information

View Safety Information

Hazard Statement

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

Toxicity

LD50 in rats (mg/kg): 7000 s.c.; 2500 orally (Ogata, 1983)

Synonyms & References

English

  • 1H-Imidazole, 1-(1-(2-((3-chlorobenzyl)oxy)phenyl)vinyl)-, monohydrochloride
  • Pilzcin
  • 1-(1-O-(m-(Chlorobenzyloxy)phenyl)vinyl)-1H-imidazole hydrochloride
  • Croconazol clorhidrato
  • Cloconazole HCl
  • D02169
  • I0WFH323HZ
  • 1-(1-(2-((3-Chlorophenyl)methoxy)phenyl)ethenyl)-1H-imidazole hydrochloride
  • 1-(1-(2-(3-chlorobenzyloxy)phenyl)vinyl)-1H-imidazole hydrochloride
  • CROCONAZOLEHYDROCHLORIDE
  • Croconazol clorhidrato [Spanish]
  • 1-(1-(2-((3-Chlorobenzyl)oxy)phenyl)vinyl)-1H-imidazole hydrochloride
  • Q27280216
  • Croconazole hydrochloride (JP17)
  • 1-(1-(2-((3-Clorobenzil)oxi)fenil)vinil)-1H-imidazol monoclorhidrato
  • croconazole hydrochloride
  • SCHEMBL36790
  • Croconazole monohydrochloride
  • Croconazole Hydrochloride [JAN]
  • 1-(1-(2-((3-Clorobenzil)oxi)fenil)vinil)-1H-imidazol monoclorhidrato [Spanish]
  • 710674S
  • 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole hydrochloride
  • Cloconazole hydrochloride
  • 710674-S
  • AKOS037643334
  • 1-(1-(2-((3-Clorofenil)metoxi)fenil)etenil)-1H-imidazol monoclorhidrato
  • CROCONAZOLE HYDROCHLORIDE [WHO-DD]
  • 77174-66-4
  • 1-(1-(O-((M-CHLOROBENZYL)OXY)PHENYL)VINYL)IMIDAZOLE HYDROCHLORIDE
  • 1H-Imidazole, 1-(1-(2-((3-chlorophenyl)methoxy)phenyl)ethenyl)-, monohydrochloride
  • AMY32538

MDL Number

MFCD00941395

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (CAS: 77174-66-4)?

1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride crystallizes as a white powder with a molecular weight of approximately 456.8 g/mol. It is slightly soluble in water and ethanol, and has poor solubility in most organic solvents. This compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under usual storage conditions but should be protected from moisture and strong acids.

How is 1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (CAS: 77174-66-4) typically synthesized?

1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride is typically synthesized via a multi-step reaction sequence involving protection, functionalization, and coupling of the intermediates. The synthesis involves the use of standard organic reaction conditions such as reflux, stirring, and the application of appropriate catalysts and solvents. The yield ranges from 50% to 70%, depending on the purity of the intermediates and the efficiency of the purification steps.

What industries use 1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (CAS: 77174-66-4)?

1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride is primarily used in pharmaceutical research and development, particularly for the synthesis of intermediates in drug discovery. It can also be used in the chemical industry for the development of new materials and sensors. In semiconductor manufacturing, it may serve as a precursor in the fabrication of electronic materials due to its unique chemical properties.

What precautions should be taken when handling 1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride (CAS: 77174-66-4)?

Precautions for handling 1-(1-{2-[(3-Chlorobenzyl)oxy]phenyl}vinyl)-1H-imidazole hydrochloride include the use of personal protective equipment such as gloves, goggles, and lab coats. It should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up with appropriate absorbent materials, and the area should be thoroughly cleaned afterwards. The material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures.

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