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1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide structure

CAS No:
119126-15-7
Formula:
C19H14ClF5N4O2
Chemical Name:
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide
Synonyms:
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide;1-[4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl]-5-phenyl-1H-1,2,4-triazole-3-carboxamide;Flupoxam Standard;1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl]-5-phenyl-;Flupoxam in methanol;Flupoxam 100 μg/mL in Acetonitrile

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Description

Solid

Flupoxam is a benzyl ether.

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide Basic Attributes

Molecular Weight：

460.79

Exact Mass：

460.79

EC Number：

411-750-7

UNII：

G7Q93JFI8D

DSSTox ID：

DTXSID7057943

Characteristics

PSA：

83.03000

XLogP3：

5.10110

Density：

1.49±0.1 g/cm3(Predicted)

Melting Point：

approximate 151℃

Boiling Point：

555.7±60.0 °C(Predicted)

Flash Point：

289.9ºC

Refractive Index：

1.574

Water Solubility：

2.17e-06 M

Vapor Pressure：

2.18E-12mmHg at 25°C

PKA：

14.35±0.50(Predicted)

Henrys Law Constant：

1.1×102mol/(m3Pa) at 25℃, Duchowicz et al. (2020)

Safety Information

hazard class code：

safety instructions：

Marks：

Hazard Statements：

51/53

GHS Classification：

|H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide Use and Manufacturing

Uses

Flupoxam is a pesticide residue in food and vegetables. It also functions as a herbicide for agricultural purposes.

Production

Flupoxam is commercially produced through a multi-step organic synthesis involving substituted benzoxazinone intermediates. The process typically begins with the preparation of a benzoxazinone core structure, which is then functionalised with fluorinated and alkyl side chains to enhance herbicidal activity and environmental stability.

Use Classification：

Agrochemicals -> Herbicides

Computed Properties

Molecular Weight:460.8
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:460.0725442
Monoisotopic Mass:460.0725442
Topological Polar Surface Area:83
Heavy Atom Count:31
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide

SDS

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