Tebuconazole

Description

Tebuconazole · CAS 80443-41-0 · C16H22ClN3O. UNII 401ATW8TRW. Melting Point: 105 °C; Solubility: In water, 36 mg/L at pH 5-9, 20 °C; Vapor Pressure: 0.00000001 [mmHg].

Identification

CAS Registry Number	80443-41-0
PubChem CID	86102
Molecular formula	C16H22ClN3O
IUPAC name	1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
UNII (FDA)	401ATW8TRW

Computed Descriptors

Molecular Weight	307.82
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	307.1451400
Monoisotopic Mass	307.1451400
Topological Polar Surface Area	50.9
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Melting Point	105 °C
Solubility	In water, 36 mg/L at pH 5-9, 20 °C
Vapor Pressure	0.00000001 [mmHg]
Vapor Pressure	1.7X10-6 Pa (1.3X10-8 mm Hg) at 20 °C
LogP	log Kow = 3.7
LogP	3.7
Collision Cross Section	183.95 Ų [M+Cl]-
Collision Cross Section	186.61 Ų [M+HCOO]-
Collision Cross Section	166.8 Ų [M+H]+

Physical description & handling notes

• Colorless solid; [Merck Index] Technical product: White to beige solid; [eChemPortal: ESIS] White powder; [MSDSonline]
• Colorless crystals
• Stable to elevated temperatures, and to photolysis and hydrolysis in pure water, under sterile conditions... .
• When heated to decomposition it emits toxic vapors of /hydrogen chloride and nitrogen oxides/.
• 166.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9032113]
• 172.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9032113]

GHS Hazard Classification

Reported hazard statements	H302, H400, H410, H361 (69.9%), H411 (30.3%), H350, H360, H371

Documented Uses

• Used fungicide for seed treatment or foliar spray on cereal, peanuts, oilseed rape, grapes, pome fruit, stone fruit, and bananas; [HSDB] Used in wood preservatives; [eChemPortal: ESIS]
• ... Effective seed treatment against bunts, smuts, and Septoria species on cereals. As a foliar spray, it acts against rust, powdery mildew, and leaf and head diseases ... .
• Fungicide; For use on cereal, peanuts, oilseed rape, grapes, pome fruit, stone fruit, and Sigatoka on bananas.
• Fungicides, Plant growth regulators
• Information on 10 consumer products that contain Tebuconazole in the following categories is provided:
• G. Holmwood et al., European patent 40,345 ... US patent 4,723,984 (1981, 1988 both to Bayer)

Synonyms

Tebuconazole; 107534-96-3; Fenetrazole; Ethyltrianol; Etiltrianol; Folicur; Elite; Terbuconazole; Terbutrazole; Raxil; Preventol A 8; LYNX; HWG 1608; DTXSID9032113; 401ATW8TRW; SILVACURE

Frequently Asked Questions

What are the CAS number and molecular formula of Tebuconazole?

CAS 80443-41-0; molecular formula C16H22ClN3O; molecular weight — g/mol.

What other names is Tebuconazole known by?

Tebuconazole, 107534-96-3, Fenetrazole, Ethyltrianol, Etiltrianol, Folicur.

Is Tebuconazole classified as hazardous?

Hazard statements reported: H302, H400, H410, H361, H411.

What are the key physical properties of Tebuconazole?

Melting Point: 105 °C; Solubility: In water, 36 mg/L at pH 5-9, 20 °C; Vapor Pressure: 0.00000001 [mmHg]; Vapor Pressure: 1.7X10-6 Pa (1.3X10-8 mm Hg) at 20 °C.

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.