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Epoxiconazole

Epoxiconazole structure

CAS No:
133855-98-8
Formula:
C17H13ClFN3O
Chemical Name:
Epoxiconazole
Synonyms:
1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-,rel-;1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-,cis-(±)-;1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-,rel-;rel-1-[[(2R,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole;BAS 480F;Opus;Epoxiconazole;Opal;Opal (fungicide);Rubric;Fuhuanzuo;106325-08-0;205862-63-1
Categories:
Analytical Chemistry > Standard

Description

(2S,3R)-epoxiconazole is the (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. It is an enantiomer of a (2R,3S)-epoxiconazole.

Epoxiconazole Basic Attributes

Molecular Weight：

329.76

Exact Mass：

329.76

EC Number：

406-850-2

DSSTox ID：

DTXSID1040372

HScode：

2933199090

Characteristics

PSA：

43.24000

XLogP3：

3.44

Density：

1.39±0.1 g/cm3(Predicted)

Boiling Point：

463.1±55.0 °C(Predicted)

Flash Point：

233.9±31.5 °C

Refractive Index：

1.659

Collision Cross Section：

174.17 Å² [M+H]+

Safety Information

Transport codes：

UN 3077

wgk germany：

hazard class code：

40-51/53-62-63-61

safety instructions：

36/37-46-61-45-53

RTECS Number：

XZ4500100

Marks：

Xn,N,T

Precautionary statement(s)：

P201-P273-P308 + P313-P391-P501

Hazard Statements：

H351-H360Df-H411

GHS Classification：

|Danger|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|Aggregated GHS information provided by 227 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|Aggregated GHS information provided by 70 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 196 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)

MeSH Entry Terms：

(2RS,35R) 1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole

Epoxiconazole Use and Manufacturing

Uses

Epoxiconazole is a fungicide used to inhibit the metabolism and growth of mycelia.

Use Classification：

Agrochemicals -> Fungicides

Computed Properties

Molecular Weight:329.8
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:329.0731179
Monoisotopic Mass:329.0731179
Topological Polar Surface Area:43.2
Heavy Atom Count:23
Complexity:421
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Epoxiconazol

CAS No.: 133855-98-8

Content: 99.00%

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Guide of Epoxiconazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Epoxiconazole

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