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Semiamitraz chloride

Semiamitraz chloride structure

CAS No:
51550-40-4
Formula:
C10H14N2.ClH
Chemical Name:
Semiamitraz chloride
Synonyms:
Methanimidamide,N-(2,4-dimethylphenyl)-N′-methyl-,hydrochloride (1:1);Methanimidamide,N-(2,4-dimethylphenyl)-N′-methyl-,monohydrochloride;U 40481A;N-Methyl-N′-(2,4-xylyl)formamidine hydrochloride;N-(2,4-Dimethylphenyl)-N′-methylmethanimidamide hydrochloride;Danjiami;N′-(2,4-Xylyl)-N-methylformamidine hydrochloride;Monocarboxoldehyde;Semiamitraz chloride;126776-01-0;34098-24-3
Categories:
Agrochemicals > Insecticides

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Description

Tan Solid

Semiamitraz chloride Basic Attributes

Molecular Weight：

198.6925

Exact Mass：

198.092377

EC Number：

257-274-1

UNII：

43D0U6Y04M

DSSTox ID：

DTXSID10199510

HScode：

2925290090

Characteristics

PSA：

24.4

XLogP3：

3.24840

Melting Point：

161-163 °C

Boiling Point：

245.9ºC at 760 mmHg

Flash Point：

102.5ºC

Storage Conditions：

Amber Vial, -20°C Freezer, Under Inert Atmosphere

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Semiamitraz chloride Use and Manufacturing

Methods of Manufacturing

N-xylene is nitrated and reduced to produce 2, 4-xylidine; ethyl formate and monomethylamine are reacted to produce methylformamide; 2, 4-dimethylaniline and methylformamide are in p-toluenesulfonyl chloride In the presence of a condensing agent such as phosphorus oxychloride or the like, the reaction was stirred at 70°C for 3 hours to generate monoformamidine in xylene solvent. See the synthesis of monoformamidine in the preparation of bisformamidine for details.

Uses

A metabolite of Amitraz (A633320).

Computed Properties

Molecular Weight:198.69
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:198.0923762
Monoisotopic Mass:198.0923762
Topological Polar Surface Area:24.4
Heavy Atom Count:13
Complexity:154
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

m-Xylene