148-01-6
Product Name:
Dinitolmide
Formula:
C8H7N3O5
Synonyms:
2-Methyl-3,5-dinitrobenzamide;3,5-Dinitro-o-toluamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellowish, crystalline solid. Mp: 177 °C. Very slightly soluble in water. Soluble in acetone, acetonitrile, and dimethylformamide. Used as an anti-parasite drug for poultry. Store in a cool, ventilated place, away from acute fire hazards and easily oxidized materials. |
|---|---|
| Color/Form | Crystals from dilute alcohol |
| Melting Point | 351 °F (NIOSH, 2023) |
| Solubility | Slight (NIOSH, 2023) |
| Vapor Pressure | 0.00000007 [mmHg] |
| Henry's Law Constant | Henry's Law constant = 3.8X10-14 atm-cu m/mole @ 25 °C /Estimated/ |
| Collision Cross Section | 143.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 2.1X10-12 cu cm/molecule-sec @ 25 °C /Estimated/ |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 225.16 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.03857033 g/mol |
| Monoisotopic Mass | 225.03857033 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 321 |
| 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
Yellowish, crystalline solid. Mp: 177 °C. Very slightly soluble in water. Soluble in acetone, acetonitrile, and dimethylformamide. Used as an anti-parasite drug for poultry. Store in a cool, ventilated place, away from acute fire hazards and easily oxidized materials.