CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless plates; [HSDB] |
|---|---|
| Color/Form | Plates from benzene |
| Boiling Point | 273.5 °C |
| Melting Point | 64 °C |
| Solubility | Soluble in water, ethanol, ethyl ether; slightly soluble in benzene, acetic acid |
| Vapor Pressure | 0.0034 [mmHg] |
| LogP | log Kow = 0.16 |
| Decomposition | When heated to decomposition it emits toxic fumes of nitrogen oxides. |
| Other Experimental Properties | READILY BECOMES OXIDIZED IN NEUTRAL OR ALKALINE SOLN TO FORM DARK PRODUCTS |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.17 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.084398327 g/mol |
| Monoisotopic Mass | 122.084398327 g/mol |
| Topological Polar Surface Area | 52 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 92.9 |
| 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
2-methyl-1,4-phenylenediamine is a diamine in which the two amino groups are substituted into toluene at the 2- and 5-positions. It has a role as an allergen. It derives from a hydride of a toluene.