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Aclonifen

Aclonifen structure

CAS No:
74070-46-5
Formula:
C12H9ClN2O3
Chemical Name:
Aclonifen
Synonyms:
Benzenamine,2-chloro-6-nitro-3-phenoxy-;2-Chloro-6-nitro-3-phenoxybenzenamine;CME 127;Aclonifen;2-Chloro-6-nitro-3-phenoxyaniline;Bandren;Bandur;KUB 3359;Challenge 600
Categories:
Analytical Chemistry > Standard

Description

Aclonifen is a primary amino compound that is aniline in which the phenyl group has been substituted at positions 2, 3, and 6 by chlorine, phenoxy, and nitro groups, respectively. A protoporphyrinogen oxidase (PPO) inhibitor, it is used as a herbicide against a broad range of weeds in a wide range of crops. It has a role as a herbicide, an agrochemical, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a carotenoid biosynthesis inhibitor. It is a member of monochlorobenzenes, an aromatic ether, a C-nitro compound, a substituted aniline and a primary amino compound.

Aclonifen Basic Attributes

Molecular Weight：

264.66

Exact Mass：

264.66

EC Number：

277-704-1

UNII：

1762RDA835

DSSTox ID：

DTXSID7058175

HScode：

2921420013

Characteristics

PSA：

81.1

XLogP3：

4.72710

Density：

1.422g/cm3

Melting Point：

81.5 °C

Boiling Point：

400ºC (e)

Flash Point：

172.4ºC

Refractive Index：

1.656

Water Solubility：

9.44e-06 M

Vapor Pressure：

1.20e-07 mmHg

Toxicity：

Oral-Rat LD> 6500 mg/kg; Oral-Mouse LD50:> 5000 mg/kg

Flammability characteristics：

Combustible, decomposes toxic chloride, nitrogen oxide gas when burning

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

RTECS Number：

CX9858650

Marks：

Storage features：

Warehouse low temperature, ventilated, dry

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P273, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P391, P405, and P501|H317 (84.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 250 companies from 3 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：

2-chloro-6-nitro-3-phenoxy-benzenamine

Aclonifen Use and Manufacturing

Use Classification：

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

Agrochemical：

Aclonifen has known environmental transformation products that include Hydroquinone, Phenol (CGA 73330), RPA 407074, RPA 407288, RPA 407291, and RPA 508285.

Computed Properties

Molecular Weight:264.66
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:264.0301698
Monoisotopic Mass:264.0301698
Topological Polar Surface Area:81.1
Heavy Atom Count:18
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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