112281-77-3
Product Name:
TETRACONAZOLE
Formula:
C13H11Cl2F4N3O
Synonyms:
(RS)-2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazolyl)propyl 1,1,2,2-tetrafluoroethyl ether;(±)-1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless, viscous liquid |
|---|---|
| Boiling Point | Decomposes at 240 °C without boiling |
| Melting Point | Pour point 6 °C |
| Solubility | Readily soluble in 1,2-dichloroethane, acetone, and methanol |
| Density | 1.432 at 20 °C |
| Vapor Pressure | 1.35X10-6 mm Hg at 20 °C |
| LogP | log Kow = 3.56 |
| Decomposition | Decomposition at 240 °C (boiling point) /from table/ |
| Ionization Efficiency | Positive |
| Collision Cross Section | 174.34 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 2013 1998 1985.6 |
| Other Experimental Properties | Yellow to yellowish-brown liquid /Technical/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 372.14 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 371.0215300 g/mol |
| Monoisotopic Mass | 371.0215300 g/mol |
| Topological Polar Surface Area | 39.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 381 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole is a member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group. It is a member of triazoles, a dichlorobenzene, an ether and an organofluorine compound.