33629-47-9
Product Name:
BUTRALIN
Formula:
C14H21N3O4
Synonyms:
N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow-orange solid; [Merck Index] |
|---|---|
| Color/Form | Yellow orange crystals |
| Odor | Slightly aromatic odor |
| Boiling Point | 134-146 °C at 0.5 mm Hg |
| Melting Point | 61 °C |
| Flash Point | 97 °F (36 °C) open cup |
| Solubility | Solubility in ethanol 73, methanol 98 and hexane 300 g/L at 25-26 °C. Solubility in dichloroethane 146, benzene 270 and acetone 448 g/100 mL at 24 °C. |
| Density | 1.06 at 25 °C |
| Vapor Pressure | 0.000013 [mmHg] |
| LogP | log Kow = 4.93 at 23 °C |
| Henry's Law Constant | Henry's Law constant = 4.9X10-6 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Hydrolytically and photochemically stable. Concentrates are stable on storage under dry conditions >3 years, but should not be stored <-5 °C or allowed to freeze. |
| Decomposition | Decomposes at 265 °C. |
| Kovats Retention Index | 2022.2 |
| Chemical Classes | Pesticides -> Herbicides, Nitroaromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.33 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 295.15320616 g/mol |
| Monoisotopic Mass | 295.15320616 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 359 |
| 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
Butralin is a C-nitro compound.