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Fluorodifen

Fluorodifen structure

CAS No:
15457-05-3
Formula:
C13H7F3N2O5
Chemical Name:
Fluorodifen
Synonyms:
Benzene,2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-;Ether,p-nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl;2-Nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene;C 6989;Preforan;p-Nitrophenyl α,α,α-trifluoro-o-nitro-p-tolyl ether;4-Nitrophenyl 4-(trifluoromethyl)-2-nitrophenyl ether;Fluorodifen;p-Nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl ether;2,4′-Dinitro-4-(trifluoromethyl) diphenyl ether;p-Nitrophenyl 2-nitro-4-(trifluoromethyl)phenyl ether;3-Nitro-4-(p-nitrophenoxy)-α,α,α-trifluorotoluene;Fluorodiphen;4′-Trifluoromethyl-2′,4-dinitrodiphenyl ether;NSC 58415
Categories:
Agrochemicals > Herbicides

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Description

Fluorodifen is an aromatic ether.

Fluorodifen Basic Attributes

Molecular Weight：

328.2

Exact Mass：

328.20

EC Number：

239-474-0

UNII：

H4154A0WOP

NSC Number：

58415

DSSTox ID：

DTXSID7037553

HScode：

2909309014

Characteristics

PSA：

101

XLogP3：

5.36050

Density：

1.5601 (estimate)

Melting Point：

94 °C

Boiling Point：

371.1±42.0 °C(Predicted)

Flash Point：

178.2ºC

Refractive Index：

1.565

Water Solubility：

6.09e-06 M

Vapor Pressure：

2.26E-05mmHg at 25°C

Toxicity：

Oral-Rat LD50: 9000 mg/kg; Oral-Mouse LD50: 15000 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxides and fluoride gas

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

36-50/53

safety instructions：

26-60-61

RTECS Number：

KO2750000

Marks：

Xi,N

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P273-P305 + P351 + P338

Hazard Statements：

H319-H332-H400

GHS Classification：

|Warning|H319 (92.68%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P271, P273, P280, P304+P312, P304+P340, P305+P351+P338, P312, P337+P313, P391, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH Entry Terms：

fluorodifen

Fluorodifen Use and Manufacturing

Methods of Manufacturing

Using p-chlorotoluene as the starting material, p-chlorobenzotrifluoride is obtained by chlorination and fluorination, and then nitrified and condensed with p-nitrophenol to prepare flufenapyr.

Uses

Herbicide is a herbicide for contacting pre-emergence or post-emergence. Suitable for weeding soybeans, peanuts and rice fields, lasting 8-12 weeks

Manufacturing Info：

Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-: INACTIVE

Use Classification：

Agrochemicals -> Herbicides|HERBICIDES

Computed Properties

Molecular Weight:328.20
XLogP3:3.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:328.03070581
Monoisotopic Mass:328.03070581
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:440
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Chlorotoluene

1-Chloro-4-(trifluoromethyl)benzene