122-39-4
Product Name:
Diphenylamine
Formula:
C12H11N
Synonyms:
Diphenylamine;DPA;N-Phenylaniline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Diphenylamine is a light tan to brown solid with a pleasant odor. Sinks in water. (USCG, 1999) |
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Color/Form | Monoclinic leaflets from dilute alcohol |
Odor | Pleasant, floral odor. |
Boiling Point | 576 °F at 760 mmHg (NTP, 1992) |
Melting Point | 129 to 131 °F (NTP, 1992) |
Flash Point | 307 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
Density | 1.068 at 141.8 °F (USCG, 1999) - Denser than water; will sink |
Vapor Density | 5.82 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
Vapor Pressure | 1 mmHg at 226.9 °F ; 60 mmHg at 404.4 °F (NTP, 1992) |
LogP | log Kow = 3.50 |
Henry's Law Constant | Henry's Law constant: 2.69X10-006 atm-cu m/mole @ 25 °C /Estimated/ |
Stability/Shelf Life | Discolors in light. |
Autoignition Temperature | 1175 °F (USCG, 1999) |
Decomposition | When heated to decomposition it emits highly toxic fumes of /nitrogen oxides/. |
Heat of Combustion | -16.300 BTU/LB= -9.060 CAL/G= -379X10+5 J/KG |
Surface Tension | 39.3 DYNES/CM = 0.0393 N/M @ 60 °C |
Ionization Potential | 7.40 eV |
Ionization Efficiency | Positive |
Odor Threshold | Odor Threshold Low: 0.02 [mmHg] Odor threshold from AIHA |
Dissociation Constants | pKa = 0.78 @ 24 °C |
Kovats Retention Index | 1588 1619 1567 1597.8 1602 1589.1 1589.7 1568 1593.1 1618.8 1575 1575 1601 275.74 |
Other Experimental Properties | Forms salts with strong acids |
Chemical Classes | Nitrogen Compounds -> Amines, Polyaromatic |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H373:Specific target organ toxicity, repeated exposure 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. P314:Get medical advice/attention if you feel unwell. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 169.22 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 169.089149355 g/mol |
Monoisotopic Mass | 169.089149355 g/mol |
Topological Polar Surface Area | 12 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 116 |
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
Diphenylamine is a light tan to brown solid with a pleasant odor. Sinks in water. (USCG, 1999)
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