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29191-52-4

29191-52-4 structural image
Product Name: anisidine
Formula: C7H9NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description P-anisidine appears as brown crystals or dark brown solid. Characteristic amine odor. (NTP, 1992)
Color/Form White solid
Odor Amine-like odor
Boiling Point 469 °F at 760 mmHg (NTP, 1992)
Melting Point 135 °F (NTP, 1992)
Flash Point 41 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.071 at 135 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 4.25 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure less than 0.1 mmHg at 68 °F (NTP, 1992)
LogP log Kow = 0.95
Henry's Law Constant Henry's Law constant = 6.60X10-8 atm-cu m/mol at 25 °C
Autoignition Temperature 515 °C
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides./
Ionization Potential 7.44 eV
Ionization Efficiency Positive
Refractive Index Index of refraction: 1.5559 at 60 °C/D
Dissociation Constants pKa = 5.36 at 25 °C
Kovats Retention Index 1174 1199 1199 1174
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

COMPUTED DESCRIPTORS

Molecular Weight 123.15 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 123.068413911 g/mol
Monoisotopic Mass 123.068413911 g/mol
Topological Polar Surface Area 35.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 77
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

P-anisidine appears as brown crystals or dark brown solid. Characteristic amine odor. (NTP, 1992)