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594-71-8

594-71-8 structural image
Product Name: 2-CHLORO-2-NITROPROPANE
Formula: C3H6ClNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-chloro-2-nitropropane is a clear colorless to slightly yellow liquid. (NTP, 1992)
Color/Form LIQUID
Boiling Point 273 °F at 760 mmHg (Decomposes) (NTP, 1992)
Flash Point 135 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 1.197 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 4.26 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 22.3 mmHg at 77 °F (NTP, 1992)
Refractive Index INDEX OF REFRACTION: 1.4378 @ 19 °C/D
Other Experimental Properties SLIGHT DECOMPOSITION @ 57 °C @ 50 MM HG
Chemical Classes Nitrogen Compounds -> Nitros, Aliphatic

COMPUTED DESCRIPTORS

Molecular Weight 123.54 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 123.0087061 g/mol
Monoisotopic Mass 123.0087061 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 85.4
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-chloro-2-nitropropane is a clear colorless to slightly yellow liquid. (NTP, 1992)