CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-isopropylaniline is a clear brown liquid. (NTP, 1992) |
|---|---|
| Color/Form | Yellowish liquid |
| Odor | Sweet, aromatic odor. |
| Boiling Point | 397 to 399 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -58 °F (NIOSH, 2023) |
| Flash Point | 190 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Density | 0.93 at 60 °F (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.7 |
| Vapor Pressure | 0.03 mmHg at 77 °F (NIOSH, 2023) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Refractive Index | MAX ABSORPTION (DIL ALCOHOL-HCL): 248 NM (LOG E= 2.19); 254 NM (LOG E= 2.27); 260 NM (LOG E= 2.13); INDEX OF REFRACTION: 1.5380 AT 20 °C; SADTLER REFERENCE NUMBER: 30297 (IR, PRISM); 6293 (IR, GRATING); 12762 (UV); 1335 (NMR) |
| Dissociation Constants | pKa = 5.30 at 25 °C (conjugate acid) |
| Kovats Retention Index | 1127.2 |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H331:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P284:Wear respiratory protection. P310:Immediately call a POISON CENTER or doctor/physician. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 135.21 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 135.104799419 g/mol |
| Monoisotopic Mass | 135.104799419 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 82.7 |
| 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
N-isopropylaniline is a clear brown liquid. (NTP, 1992)