Epoxiconazol

Description

Epoxiconazol · CAS 106325-08-0 · C17H13ClFN3O. UNII U80T84L776. Vapor Pressure: 0.00000045 [mmHg]; LogP: 3.44; Ionization Efficiency: 3.42.

Identification

CAS Registry Number	106325-08-0
PubChem CID	107901
Molecular formula	C17H13ClFN3O
IUPAC name	1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
UNII (FDA)	U80T84L776

Computed Descriptors

Molecular Weight	329.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
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
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.00000045 [mmHg]
LogP	3.44
Ionization Efficiency	3.42
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1038/s41598-020-62573-z
Collision Cross Section	174.17 Ų [M+H]+

Physical description & handling notes

• Solid; [Merck Index]
• Positive
• Agilent XCT
• Electrospray ionization
• formic acid (5.3nM)
• 191.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1040372]

GHS Hazard Classification

Reported hazard statements	H351, H411, H360 (80.5%), H400 (12.2%), H410 (12.2%), H361 (100%)

Documented Uses

• Used as an agricultural fungicide; [Merck Index] Intended for use as a fungicide on bananas and coffee; [Reference #1]
• Not currently registered for use in the US (2006); [Reference #1]
• Epoxiconazole (Class: Other Substances, Added Date: 06-2014)
• Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

Synonyms

Epoxiconazole; Epoxiconazol; 133855-98-8; OPUS; epoxyconazole; 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole; BAS 480F; U80T84L776; BAS-480-F; DTXSID1040372; 1H-1,2,4-triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl)methyl)-, rel-; 1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-; Fire Opal; 1-(((2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl)methyl)-1,2,4-triazole; Fire Opal 8117; RefChem:55119

Frequently Asked Questions

What are the CAS number and molecular formula of Epoxiconazol?

CAS 106325-08-0; molecular formula C17H13ClFN3O; molecular weight — g/mol.

What other names is Epoxiconazol known by?

Epoxiconazole, Epoxiconazol, 133855-98-8, OPUS, epoxyconazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole.

Is Epoxiconazol classified as hazardous?

Hazard statements reported: H351, H411, H360, H400, H410.

What are the key physical properties of Epoxiconazol?

Vapor Pressure: 0.00000045 [mmHg]; LogP: 3.44; Ionization Efficiency: 3.42; Ionization Efficiency: 2.7.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.