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Ipconazole

Ipconazole structure

CAS No:
125225-28-7
Formula:
C18H24ClN3O
Chemical Name:
Ipconazole
Synonyms:
Cyclopentanol,2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-;2-[(4-Chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol;Ipconazole;Vortex FL;Rancona;Vortex;Vortex (fungicide);149202-33-5;1135441-11-0
Categories:
Agrochemicals > Fungicides

Description

Ipconazole is a member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl, 4-chlorobenzyl and isopropyl substituents at positions 1, 2 and 5 respectively. Used to control a range of seed diseases in rice, vegetables and other, mainly non-food, crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of cyclopentanols, a member of monochlorobenzenes, a member of triazoles, a tertiary alcohol, a conazole fungicide and a triazole fungicide.

Ipconazole Basic Attributes

Molecular Weight：

333.85600

Exact Mass：

333.86

EC Number：

603-038-1

DSSTox ID：

DTXSID7034674

Characteristics

PSA：

50.94000

XLogP3：

3.58750

Density：

1.24g/cm3

Melting Point：

89 °C

Boiling Point：

486ºC at 760mmHg

Flash Point：

247.7ºC

Refractive Index：

1.617

Water Solubility：

2.08e-05 M

Vapor Pressure：

2.94E-10mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P273, P281, P301+P312, P304+P312, P304+P340, P308+P313, P309+P311, P312, P314, P330, P391, P405, and P501|Aggregated GHS information provided by 199 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:333.9
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:333.1607901
Monoisotopic Mass:333.1607901
Topological Polar Surface Area:50.9
Heavy Atom Count:23
Complexity:387
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes