CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes. |
|---|---|
| Melting Point | 117 - 119 °C |
| Collision Cross Section | 175.11 Ų [M+H]+ 175.92 Ų [M-H]- |
| Kovats Retention Index | 2574 2559.3 2550.7 2561 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H362:Reproductive toxicity, effects on or via lactation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 331.2 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.0326684 g/mol |
| Monoisotopic Mass | 330.0326684 g/mol |
| Topological Polar Surface Area | 46 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 357 |
| 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
Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes.