95-54-5
Product Name:
o-Phenylenediamine
Formula:
C6H8N2
Synonyms:
1,2-Diaminobenzene;1,2-Phenylendiamine;1,2-Phenylenediamine;OPD
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,2-phenylenediamine appears as colorless monoclinic crystals if pure; technical grade brownish-yellow crystals or a sandy brown solid. Used in manufacture of dyes, photography, organic synthesis. |
|---|---|
| Color/Form | Brownish-yellow leaflets from water; plates from chloroform |
| Boiling Point | 493 to 496 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 216 to 219 °F (NTP, 1992) |
| Flash Point | 313 °F (NFPA, 2010) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Density | Relative vapor density (air = 1): 3.73 |
| Vapor Pressure | 2.06X10-3 mm Hg at 25 °C |
| LogP | log Kow = 0.15 |
| Decomposition | When heated to decomp, it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | pKa1 = less than 2; pKa2 = 4.47 at 25 °C |
| Collision Cross Section | 129.1 Ų [M+H]+ |
| 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 |
H301:Acute toxicity,oral H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H351:Carcinogenicity 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. 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. 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 | 108.14 g/mol |
|---|---|
| XLogP3 | 0.1 |
| 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 | 62.9 |
| 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
1,2-phenylenediamine appears as colorless monoclinic crystals if pure; technical grade brownish-yellow crystals or a sandy brown solid. Used in manufacture of dyes, photography, organic synthesis.