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137-17-7

137-17-7 structural image
Product Name: 2,4,5-TRIMETHYLANILINE
Formula: C9H13N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,4,5-trimethylaniline appears as white crystals or beige powder. (NTP, 1992)
Color/Form White crystals
Boiling Point 453 to 455 °F at 760 mmHg (NTP, 1992)
Melting Point 154 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 73 °F (NTP, 1992)
Density 0.957 (NTP, 1992) - Less dense than water; will float
Vapor Pressure 1 mmHg at 155.1 °F ; 10 mmHg at 228.2 °F (NTP, 1992)
LogP log Kow= 2.27
Henry's Law Constant Henry's Law constant= 2.48X10-6 atm-cu m/mol @ 25 °C
Decomposition When heated to decomposition it emits very toxic fumes of nitroxides.
Dissociation Constants pKa= 5.09
Kovats Retention Index 220.25
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 135.21 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 135.104799419 g/mol
Monoisotopic Mass 135.104799419 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 111
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

2,4,5-trimethylaniline appears as white crystals or beige powder. (NTP, 1992)