188425-85-6
Product Name:
Boscalid
Formula:
C18H12Cl2N2O
Synonyms:
2-Chloro-N-(4′-chlorobiphenyl-2- yl)-nicotinamide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] White powder; [MSDSonline] |
|---|---|
| Color/Form | White crystalline |
| Odor | Odorless |
| Melting Point | 142.8 to 143.8 °C |
| Solubility | In water, 4.6 mg/L at 20 °C |
| Density | 1.381 at 20 °C |
| Vapor Pressure | 0.00000001 [mmHg] |
| LogP | log Kow = 2.96 |
| Henry's Law Constant | Henry's Law constant = 5.178X10-5 Pa- cu m/mol /5.3X10-11 atm-cu m/mol/ at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| pH | pH = 5.5 at 23 °C (1% solution) |
| Ionization Efficiency | Positive |
| Dissociation Constants | Does not dissociate |
| Collision Cross Section | 171.67 Ų [M+H]+ [CCS Type: TW] |
| Other Experimental Properties | White powder; faintly smoky odor; mp: 143.3 to 143.6 °C; density: 1.394 g/cu cm /Technical grade/ |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 343.2 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 342.0326684 g/mol |
| Monoisotopic Mass | 342.0326684 g/mol |
| Topological Polar Surface Area | 42 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 399 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Boscalid is a pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an environmental contaminant, a xenobiotic and an antifungal agrochemical. It is a member of biphenyls, a pyridinecarboxamide, a member of monochlorobenzenes and an anilide fungicide. It is functionally related to a nicotinic acid.