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Benalaxyl

Benalaxyl structure

CAS No:
71626-11-4
Formula:
C20H23NO3
Chemical Name:
Benalaxyl
Synonyms:
Alanine,N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-,methyl ester;Alanine,N-(2,6-dimethylphenyl)-N-(phenylacetyl)-,methyl ester;DL-Alanine,N-(2,6-dimethylphenyl)-N-(phenylacetyl)-,methyl ester;M 9834;Galben;Benalaxyl;Galben R 4-33 Blu;(±)-Benalaxyl;82052-07-1;1135441-57-4
Categories:
Agrochemicals > Fungicides

Description

Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate It is an alanine derivative, an aromatic amide, a carboxamide and a methyl ester.

Benalaxyl Basic Attributes

Molecular Weight：

325.4

Exact Mass：

325.40

EC Number：

275-728-7

DSSTox ID：

DTXSID3041619

HScode：

29242990

Characteristics

PSA：

46.6

XLogP3：

3.88

Appearance：

White powder

Density：

1.1±0.1 g/cm3

Melting Point：

79 °C

Boiling Point：

468.8±45.0 °C at 760 mmHg

Flash Point：

237.3±28.7 °C

Refractive Index：

1.575

Water Solubility：

28.6 mg l -1 (20 °C)

Storage Conditions：

0-6°C

Vapor Pressure：

6.6 x 10 -5 Pa (25 °C)

Toxicity：

LD50 in rats (mg/kg): 4200 orally; 1100 i.p.; LC50 (96 hr) in rainbow trout: 3.75 mg/l (Bergamaschi)

Safety Information

Transport codes：

UN 3077

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

RTECS Number：

AY5993200

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Toxicity

Mobility：

3.47e+03 L/kg

Drug Information

MeSH Entry Terms：

benalaxyl

Benalaxyl Use and Manufacturing

Methods of Manufacturing

In cyclohexane solution, methyl acetate and 2, 6-dimethylaniline were stirred and reacted at 20°C for 3.5h. The product was hydrogenated by Raney nickel catalyst under <20MPa and the reaction time was 3h. Obtain methyl 2, 6-dimethylphenylaminopropionate, and then react with phenylacetyl chloride to prepare benaxyl.

Uses

Agricultural fungicide.

Use Classification：

Agrochemicals -> Fungicides|Fungicides

Computed Properties

Molecular Weight:325.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:325.16779360
Monoisotopic Mass:325.16779360
Topological Polar Surface Area:46.6
Heavy Atom Count:24
Complexity:421
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Cyclohexane

Methyl acetate

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Distributor Supplier of Chemicals bulk

Benalaxyl Systemic Fungicide for Effective Control of Oomycete Pathogens

CAS No.: 71626-11-4

Grade: Industrial Grade

Content: 95%

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