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768-52-5

768-52-5 structural image
Product Name: N-Isopropylaniline
Formula: C9H13N
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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)