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Diniconazole M

Diniconazole M structure

CAS No:
83657-18-5
Formula:
C15H17Cl2N3O
Chemical Name:
Diniconazole M
Synonyms:
1H-1,2,4-Triazole-1-ethanol,β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-,(αR,βE)-;1H-1,2,4-Triazole-1-ethanol,β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-,[R-(E)]-;(αR,βE)-β-[(2,4-Dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol;(R)-(-)-Diniconazole;Diniconazole M;(R)-S 3308;(E)-(-)-1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol;(R)-Diniconazole;(-)-Diniconazole;1135441-33-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the active S-enantiomer of diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts.

Diniconazole-M is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the active R-enantiomer of diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol, a conazole antifungal agent and a conazole fungicide. It is an enantiomer of a (S)-diniconazole.

Diniconazole M Basic Attributes

Molecular Weight：

326.22

Exact Mass：

326.22

UNII：

O8QD971Z1G

DSSTox ID：

DTXSID2034548

HScode：

3808999000

Characteristics

PSA：

50.9

XLogP3：

3.99000

Density：

1.27g/cm3

Melting Point：

160-161°

Boiling Point：

501.1ºC at 760 mmHg

Flash Point：

256.8ºC

Refractive Index：

1.592

Specific rotation：

D24 -31.7° (c = 1 in CHCl3)

Safety Information

Marks：

T:Toxic;

Precautionary statement(s)：

P201, P202, P260, P264, P270, P273, P281, P301+P312, P307+P311, P308+P313, P314, P321, P330, P391, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P281, P301+P312, P307+P311, P308+P313, P314, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 12 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol

Diniconazole M Use and Manufacturing

Uses

It is a broad-spectrum fungicide, sprayed on grapes, grains and fruits to prevent powdery mildew and scab

Use Classification：

Agrochemicals -> Fungicides

Computed Properties

Molecular Weight:326.2
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:325.0748676
Monoisotopic Mass:325.0748676
Topological Polar Surface Area:50.9
Heavy Atom Count:21
Complexity:384
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes