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Diflufenican

Diflufenican structure

CAS No:
83164-33-4
Formula:
C19H11F5N2O2
Chemical Name:
Diflufenican
Synonyms:
3-Pyridinecarboxamide,N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-;N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide;Diflufenican;FR 1078;Kwarc;Brodal;Diflufenicanil;Canyon;Legato;Hurricane (herbicide)
Categories:
Agrochemicals > Herbicides

Description

ChEBI: A pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2.

Diflufenican is a pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2. It has a role as an environmental contaminant, a xenobiotic, a herbicide and a carotenoid biosynthesis inhibitor. It is an aromatic ether, a member of (trifluoromethyl)benzenes and a pyridinecarboxamide.

Diflufenican Basic Attributes

Molecular Weight：

394.29

Exact Mass：

394.29

EC Number：

617-446-2

UNII：

3T8D1VDO6K

DSSTox ID：

DTXSID4041494

Characteristics

PSA：

51.2

XLogP3：

3.65

Appearance：

odorlessness white solid

Density：

1.4±0.1 g/cm3

Melting Point：

160 °C

Boiling Point：

376.2±42.0 °C at 760 mmHg

Flash Point：

181.3±27.9 °C

Refractive Index：

1.573

Water Solubility：

1.27e-07 M

Storage Conditions：

0-6°C

Vapor Pressure：

3.18e-08 mmHg

Toxicity：

LD50 in mice, rats (mg/kg): >1000, >2000 orally; in rats (mg/kg): >2000 dermally (Cramp)

Henrys Law Constant：

3.25e-07 atm-m3/mole

Collision Cross Section：

182.46 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

52/53

safety instructions：

RTECS Number：

US4589800

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P273

Hazard Statements：

H412

GHS Classification：

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501| |Warning|H400 (60.83%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 314 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501

Drug Information

MeSH Entry Terms：

diflufenican

Diflufenican Use and Manufacturing

Uses

Herbicide.

Use Classification：

Agrochemicals -> Herbicides|Pharmaceuticals|Herbicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Diflufenican has known environmental transformation products that include 2-(3-trifluoromethylphenoxy)nicotinamide and 2-(3-trifluoromethylphenoxy)nicotinic acid.|Diflufenican has known environmental transformation products that include AE 0542291 and AE B107137.

Computed Properties

Molecular Weight:394.3
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:394.07406841
Monoisotopic Mass:394.07406841
Topological Polar Surface Area:51.2
Heavy Atom Count:28
Complexity:533
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Thionyl chloride

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Unit Price: $1-1.3 /MT FOB

CAS No.: 83164-33-4

Grade: Agricultural Grade

Content: 97%

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4 YRS

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CAS No.: 83164-33-4

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CAS No.: 83164-33-4

Grade: pharmaceutical grade

Content: 99%

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CAS No.: 83164-33-4

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