29091-05-2
Product Name:
Dinitramine
Formula:
C11H13F3N4O4
Synonyms:
3-Diethylamino-2,4-dinitro-6-trifluoromethylaniline
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [HSDB] |
|---|---|
| Color/Form | Yellow crystals |
| Melting Point | 98.0-99.0 °C |
| Solubility | In acetone 1040, chloroform 670, benzene 473, xylene 227, ethanol 107, hexane 14 (all in g/L at 20 °C). |
| Density | 1.5 g/cc at 25 °C |
| Vapor Pressure | 0.0000036 [mmHg] |
| LogP | log Kow = 4.30 |
| Stability/Shelf Life | Relatively stable at room temperature; decomposes above 200 °C. Dilute solutions are degraded by UV irradiation. |
| Corrosivity | Non-corrosive, except to polyvinyl plastic tubing. |
| Kovats Retention Index | 1817.8 1796.9 |
| Chemical Classes | Pesticides -> Herbicides, Nitroaromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H312:Acute toxicity,dermal H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 322.24 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 322.08888939 g/mol |
| Monoisotopic Mass | 322.08888939 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419 |
| 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
Dinitramine is a C-nitro compound.