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Fenoxanil

Fenoxanil structure

CAS No:
115852-48-7
Formula:
C15H18Cl2N2O2
Chemical Name:
Fenoxanil
Synonyms:
Propanamide,N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-;N-(1-Cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propanamide;AC 382042;CL 382042;AC 901216;WL 378309;NNF 9425;Fenoxanil;Magnaporthe amide;1135442-82-8
Categories:
Analytical Chemistry > Standard

Description

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-(2,4-dichlorophenoxy)propanoic acid with the amino group of 2-amino-2,3-dimethylbutanenitrile. It is a monocarboxylic acid amide, a dichlorobenzene, a nitrile and an aromatic ether.

Fenoxanil Basic Attributes

Molecular Weight：

329.22

Exact Mass：

329.22

EC Number：

601-390-0

UNII：

VES28A6VJ5

DSSTox ID：

DTXSID2057942

HScode：

29269090

Characteristics

PSA：

62.1

XLogP3：

3.86

Density：

d20 1.22 g/cm3

Melting Point：

69.0-71.5°

Boiling Point：

504.9±50.0 °C(Predicted)

Flash Point：

259.2±30.1 °C

Refractive Index：

1.530

Storage Conditions：

0-6°C

Vapor Pressure：

2.54E-10mmHg at 25°C

Toxicity：

LD50 orally in mice, male rats, female rats (mg/kg): >5000, >5000, 4211 (Sieverding)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S36

RTECS Number：

AJ2400000

Marks：

Fenoxanil Use and Manufacturing

Agricultural fungicide.

Computed Properties

Molecular Weight:329.2
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:328.0745332
Monoisotopic Mass:328.0745332
Topological Polar Surface Area:62.1
Heavy Atom Count:21
Complexity:421
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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