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88-05-1

88-05-1 structural image
Product Name: 2,4,6-Trimethylaniline
Formula: C9H13N
Synonyms: Mesidine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Aniline, 2,4,6-trimethyl- appears as a liquid. (EPA, 1998)
Color/Form Liquid
Boiling Point 450 to 451 °F at 760 mmHg (EPA, 1998)
Melting Point 23 °F (EPA, 1998)
Solubility Insoluble in water
Density 0.9633 (EPA, 1998) - Less dense than water; will float
Vapor Pressure 0.06 [mmHg]
Decomposition When heated to decomposition it emits toxic fumes of nitroxides.
Dissociation Constants pKa= 4.38
Kovats Retention Index 1230.9 1242.2 1261
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H330:Acute toxicity,inhalation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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 99.3
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

Aniline, 2,4,6-trimethyl- appears as a liquid. (EPA, 1998)