CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | N-isopropylaniline is a clear brown liquid. (NTP, 1992) |
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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 |
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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 |
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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)