100-01-6
Product Name:
4-Nitroaniline
Formula:
C6H6N2O2
Synonyms:
4-Nitroaniline;p-Nitraniline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | P-nitroaniline, [solid] is a yellow solid with a mild odor. Sinks in water. (USCG, 1999) |
|---|---|
| Color/Form | Pale yellow monoclinic crystals from water |
| Odor | Faint ammonia; slightly pungent |
| Taste | Burning sweet taste |
| Boiling Point | 637 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 298 °F (NTP, 1992) |
| Flash Point | 390 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.77 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.0015 mmHg at 68 °F ; 0.007 mmHg at 86 °F (NTP, 1992) |
| LogP | log Kow = 1.39 |
| Henry's Law Constant | Henry's Law constant = 1.26X10-9 atm-cu m/mol at 25 °C |
| Autoignition Temperature | 356 °F (NTP, 1992) |
| Decomposition | Explosive decomposition may occur under fire conditions. |
| Corrosivity | Will attack some forms of plastics, coatings, and rubber. |
| Heat of Combustion | -9,920 Btu/lb= -5,510 cal/g= -231x10+5 J/kg |
| Heat of Vaporization | 17,220.2 GCAL/GMOL |
| pH | pH = 6.7 |
| Ionization Potential | 8.85 eV |
| Ionization Efficiency | Positive |
| Dissociation Constants | pKa = 1.01 |
| Relative Evaporation Rate | Evaporation rate (butyl acetate= 1): 22.6 |
| Kovats Retention Index | 1560 1560 1617.6 273.75 |
| Other Experimental Properties | Vapor Pressure = 1 mm Hg @ 142.4 °C |
| Chemical Classes | Nitrogen Compounds -> Nitroanilines |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H373:Specific target organ toxicity, repeated exposure H412: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 | 138.12 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 138.042927438 g/mol |
| Monoisotopic Mass | 138.042927438 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 124 |
| 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
P-nitroaniline, [solid] is a yellow solid with a mild odor. Sinks in water. (USCG, 1999)