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600-25-9

600-25-9 structural image
Product Name: 1-CHLORO-1-NITROPROPANE
Formula: C3H6ClNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-chloro-1-nitropropane is a colorless liquid. Unpleasant odor. (USCG, 1999)
Color/Form LIQUID
Odor Unpleasant odor.
Boiling Point 286 to 289 °F at 760 mmHg (NTP, 1992)
Flash Point 144 °F (NTP, 1992)
Solubility 1 to 5 mg/mL at 72 °F (NTP, 1992)
Density 1.2 (USCG, 1999) - Denser than water; will sink
Vapor Density 4.26 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 5.8 mmHg at 77 °F (NTP, 1992)
Decomposition WHEN HEATED TO DECOMP...THEY EVOLVE HIGHLY TOXIC /HYDROGEN/ CHLORIDE FUMES. SOME ORGANIC CHLORIDES DECOMP TO YIELD PHOSGENE. /CHLORIDE/
Ionization Potential 9.90 eV
Refractive Index INDEX OF REFRACTION: 1.4251 AT 20 °C/D
Chemical Classes Pesticides -> Fungicides

COMPUTED DESCRIPTORS

Molecular Weight 123.54 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
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 69.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-chloro-1-nitropropane is a colorless liquid. Unpleasant odor. (USCG, 1999)