108-45-2
Product Name:
m-Phenylenediamine
Formula:
C6H8N2
Synonyms:
1,3-Benzenediamine;1,3-Diaminobenzene;1,3-Phenylenediamine;MPDA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,3-phenylenediamine appears as colorless or white colored needles that turn red or purple in air. Melting point 64-66 C. Density 1.14 g / cm3. Flash point 280 F. May irritate skin and eyes. Toxic by skin absorption, inhalation or ingestion. Used in aramid fiber manufacture, as a polymer additive, dye manufacturing, as a laboratory reagent, and in photography. |
|---|---|
| Color/Form | WHITE CRYSTALS BECOMING RED ON EXPOSURE TO AIR |
| Boiling Point | 540 to 543 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 145 to 147 °F (NTP, 1992) |
| Flash Point | 280 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 1.0696 at 136 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 3.7 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 211.6 °F ; 0.0018 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = -0.33 |
| Stability/Shelf Life | UNSTABLE IN AIR |
| Autoignition Temperature | 1040 °F (NTP, 1992) |
| Decomposition | WHEN HEATED TO DECOMP, IT EMITS TOXIC FUMES OF NITROGEN OXIDES. |
| Refractive Index | INDEX OF REFRACTION: 1.6339 AT 58 °C/D |
| Dissociation Constants | pKa = 4.98 at 25 °C (conjugate acid) |
| Kovats Retention Index | 1303 |
| Other Experimental Properties | DIPOLE MOMENT 1.79 |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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 | 108.14 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 108.068748264 g/mol |
| Monoisotopic Mass | 108.068748264 g/mol |
| Topological Polar Surface Area | 52 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 64.9 |
| 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
1,3-phenylenediamine appears as colorless or white colored needles that turn red or purple in air. Melting point 64-66 C. Density 1.14 g / cm3. Flash point 280 F. May irritate skin and eyes. Toxic by skin absorption, inhalation or ingestion. Used in aramid fiber manufacture, as a polymer additive, dye manufacturing, as a laboratory reagent, and in photography.