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Diafenthiuron

Diafenthiuron structure

CAS No:
80060-09-9
Formula:
C23H32N2OS
Chemical Name:
Diafenthiuron
Synonyms:
Thiourea,N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N′-(1,1-dimethylethyl)-;N-[2,6-Bis(1-methylethyl)-4-phenoxyphenyl]-N′-(1,1-dimethylethyl)thiourea;Diafenthiuron;CGA 106630;Polo;Pegasus;Pegasus (pesticide);Dingminiao;Gamba;1-tert-Butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea;Phoenix;Phoenix (thiourea insecticide);Polo 500 SC;Polo 500
Categories:
Agrochemicals > Insecticides

Description

Diafenthiuron is an aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a (tert-butylcarbamothioyl)nitrilo group. An agricultural proinsecticide which is used to control mites, aphids and whitefly in cotton. It has a role as an oxidative phosphorylation inhibitor and a proinsecticide. It is a thiourea acaricide, a thiourea insecticide and an aromatic ether. It derives from a diphenyl ether.

Diafenthiuron Basic Attributes

Molecular Weight：

384.58

Exact Mass：

384.58

EC Number：

616-885-7

UNII：

22W5MDB01G

DSSTox ID：

DTXSID1041845

HScode：

2930909053

Characteristics

PSA：

65.4

XLogP3：

6.00

Appearance：

White crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

146 °C

Boiling Point：

448.8±55.0 °C at 760 mmHg

Flash Point：

149 °C

Refractive Index：

1.582

Water Solubility：

1.56e-07 M

Storage Conditions：

0-6°C

Toxicity：

Oral-rat LD50: 2068 mg/kg; inhalation-rat LC50: 558 mg/m3/14 hours

Flammability characteristics：

Thermal decomposition emits toxic nitrogen oxides and sulfur oxide fumes

Collision Cross Section：

199.75 Å² [M+H]+ [CCS Type: TW]

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

XN9100000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P260, P264, P270, P271, P273, P280, P284, P301+P312, P304+P340, P305+P351+P338, P307+P311, P310, P314, P320, P321, P330, P337+P313, P391, P403+P233, P405, P501

Hazard Statements：

H332

GHS Classification：

|Danger|H331 (80.41%): Toxic if inhaled [Danger Acute toxicity, inhalation]|P260, P261, P271, P273, P304+P312, P304+P340, P311, P312, P314, P321, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 194 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P312, P304+P340, P305+P351+P338, P307+P311, P310, P314, P320, P321, P330, P337+P313, P403+P233, P405, and P501

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

CGA 106630

Diafenthiuron Use and Manufacturing

Uses

Insecticide.

Use Classification：

Agrochemicals -> Acaricides, Insecticides|Miticides, Acaricides, Insecticides

Computed Properties

Molecular Weight:384.6
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:384.22353482
Monoisotopic Mass:384.22353482
Topological Polar Surface Area:65.4
Heavy Atom Count:27
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 80060-09-9

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CAS No.: 80060-09-9

Grade: pharmaceutical grade

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