Isoconazole nitrate

Basic Information

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CAS Number

24168-96-5

Molecular Formula

C18H15Cl4N3O4

Molecular Weight

479.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

183°C(dec.)

Boiling Point

555.1 °C at 760 mmHg

Density

1.4

Flash Point

289.5 °C

SMILES

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C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

InChI

InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

InChIKey

NNGQLSIGRSTLLU-UHFFFAOYSA-N

LogP

6.63030

Complexity

431

Safety Information

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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

Synonyms & References

English

D01480
R 15454
Q27261756
1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate
Travogyn
Adestan G 100
Adestan G100
1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, mononitrate
Isoconazole nitrate (Travogen)
1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate
5AS8P3N30X
MFCD01721647
CCG-269535
Fazol
Isoconazole (nitrate)
A817123
J-015379
1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate
ISOCONAZOLE NITRATE [MI]
ISOCONAZOLE NITRATE [MART.]
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid
HMS3656A14
CS-5151
KS-1175
I0834
1-(2-((2,6-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate
1-[2-(2,6-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate
Travogen
Isoconazole Nitrate; 1-[(2RS)-2-[(2,6-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Nitrate; Miconazole Nitrate Imp. D (EP) as Nitrate; Miconazole Impurity D as Nitrate; Miconazole Nitrate Impurity D as Nitrate; Miconazole Impurity D as Nitrate
HY-B1444
EINECS 254-769-4

MDL Number

MFCD01721647

Customs Code

2933290090

FAQ

What are the physical and chemical properties of Isoconazole nitrate (CAS: 24168-96-5)?

Isoconazole nitrate (CAS: 24168-96-5) is a white crystalline compound with a molecular weight of approximately 314.13 g/mol. It has good solubility in water and organic solvents. Isoconazole nitrate is relatively stable under normal conditions but may decompose upon heating. It reacts well with bases and can form complexes with metal ions.

How is Isoconazole nitrate (CAS: 24168-96-5) typically synthesized?

Isoconazole nitrate is typically synthesized by reacting isoconazole with nitric acid. The reaction is carried out under mild conditions, with the product isolated by recrystallization from a suitable solvent. The process yields a pure product with good selectivity and high yield.

What industries use Isoconazole nitrate (CAS: 24168-96-5)?

Isoconazole nitrate (CAS: 24168-96-5) is primarily used in the pharmaceutical industry as an antifungal agent. It is also used in some agricultural applications as a fungicide. Additionally, it has limited use in the chemical industry for synthesis of other compounds.

What precautions should be taken when handling Isoconazole nitrate (CAS: 24168-96-5)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling Isoconazole nitrate (CAS: 24168-96-5). Work should be conducted in a fume hood due to its potential volatility. Spills should be cleaned up carefully, following standard safety procedures, and the material safety data sheet (SDS) should be consulted for detailed instructions.