环唑醇

Description

Cyproconazol · CAS 113096-99-4 · C15H18ClN3O. UNII 622B9C3E6T. Boiling Point: >250 °C; Melting Point: 106.2-106.9 °C; Solubility: In water, 140 mg/L at 25 °C.

Identification

CAS Registry Number	113096-99-4
PubChem CID	86132
Molecular formula	C15H18ClN3O
IUPAC name	2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
UNII (FDA)	622B9C3E6T

Computed Descriptors

Molecular Weight	291.77
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	291.1138399
Monoisotopic Mass	291.1138399
Topological Polar Surface Area	50.9
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Boiling Point	>250 °C
Melting Point	106.2-106.9 °C
Solubility	In water, 140 mg/L at 25 °C
Density	1.25 g/cu cm
Vapor Pressure	2.59X10-7 mm Hg at 25 °C
LogP	log Kow = 2.90
LogP	2.91
Collision Cross Section	168.6 Ų [M+H]+
Collision Cross Section	168.59 Ų [M+H]+

Physical description & handling notes

• Colorless crystals from hexane/CH2Cl2
• Colorless solid
• Odorless
• Readily soluble in acetone, ethanol, xylene, and dimethyl sulfoxide
• Soluble at 25 °C (%w/w): acetone > 23; ethanol > 23; xylene 12; DMSO > 18.
• When heated to decomposition it emits very toxic fumes of hydrogen chloride and nitrogen oxide.

GHS Hazard Classification

Reported hazard statements	H301, H373, H400, H410, H302 (48.3%), H360 (16.9%), H361 (48%), H370

Documented Uses

• Ascomycetes, Basidiomycetes, and Deuteromycetes diseases in wheat, barley, rye, oats, coffee, sugar beets, peanuts, turf.
• Broad spectrum triazole antifungal; sterol demethylase inhibitor.
• For more Uses (Complete) data for CYPROCONAZOLE (7 total), please visit the HSDB record page.
• Preparation: F. Schaub, DE 3406993; idem, US 4664696 (1984, 1987 both to Sandoz).
• Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
• Cyproconazole (free and conjugated) was the only significant (>10%) residue identified in plant metabolism studies (other than the triazole related metabolites).

Synonyms

Cyproconazole; 94361-06-5; Atemi; Alto; Atemi C; 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol; san-619f; Sentinel; SAN 619F; DTXSID0032601; BONANZA; PAINDOR; SN 108266; 622B9C3E6T; 1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-; SN-108266

Frequently Asked Questions

What are the CAS number and molecular formula of Cyproconazol?

CAS 113096-99-4; molecular formula C15H18ClN3O; molecular weight — g/mol.

What other names is Cyproconazol known by?

Cyproconazole, 94361-06-5, Atemi, Alto, Atemi C, 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Is Cyproconazol classified as hazardous?

Hazard statements reported: H301, H373, H400, H410, H302.

What are the key physical properties of Cyproconazol?

Boiling Point: >250 °C; Melting Point: 106.2-106.9 °C; Solubility: In water, 140 mg/L at 25 °C; Density: 1.25 g/cu cm.

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.