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Isotianil

Isotianil structure

CAS No:
224049-04-1
Formula:
C11H5Cl2N3OS
Chemical Name:
Isotianil
Synonyms:
5-Isothiazolecarboxamide,3,4-dichloro-N-(2-cyanophenyl)-;3,4-Dichloro-N-(2-cyanophenyl)-5-isothiazolecarboxamide;3,4-Dichloroisothiazole-5-carboxylic acid 2-cyanoanilide;BYF 1047;Isotianil;3,4-Dichloro-N-2-cyanophenylisothiazol-5-carboxylic acid amide;1135441-71-2
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast.

Isotianil is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast. It has a role as an antifungal agrochemical. It is a monocarboxylic acid amide, a nitrile, an organochlorine compound, an anilide fungicide and a member of 1,2-thiazoles.

Isotianil Basic Attributes

Molecular Weight：

298.1479

Exact Mass：

298.15

EC Number：

619-682-1

UNII：

482Y0NQC01

DSSTox ID：

DTXSID4058025

Characteristics

PSA：

XLogP3：

2.13

Density：

1.6±0.1 g/cm3

Boiling Point：

322.8±42.0 °C at 760 mmHg

Flash Point：

149.0±27.9 °C

Refractive Index：

1.675

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36-43

safety instructions：

26-36/37

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H319-H334

GHS Classification：

|Danger|H302 (30.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P285, P301+P312, P302+P352, P304+P341, P305+P351+P338, P321, P330, P333+P313, P337+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 129 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P260, P261, P264, P270, P272, P280, P302+P352, P307+P311, P321, P333+P313, P363, P405, and P501

Drug Information

MeSH Entry Terms：

3,4-dichloro-2'-cyano-1,2-thiazole-5-carboxanilide

Isotianil Use and Manufacturing

Use Classification：

Agrochemicals -> Fungicides

Computed Properties

Molecular Weight:298.1
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:296.9530384
Monoisotopic Mass:296.9530384
Topological Polar Surface Area:94
Heavy Atom Count:18
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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