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88-73-3

88-73-3 structural image
Product Name: 2-Nitrochlorobenzene
Formula: C6H4ClNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description O-nitrochlorobenzene appears as yellow crystals with an aromatic odor. Sinks in water. (USCG, 1999)
Color/Form Yellow crystals
Boiling Point 475 °F at 760 mmHg (NTP, 1992)
Melting Point 90 to 91 °F (NTP, 1992)
Flash Point 261 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 67.8 °F (NTP, 1992)
Density 1.368 at 71.6 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 5.44 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.4 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 2.52
Henry's Law Constant Henry's Law constant = 9.3X10-6 atm-cu m/mole at 25 °C
Autoignition Temperature 470 °C
Viscosity 2.09X10-3 Pa-s at 317.65 deg K
Heat of Vaporization 6.59X10+7 J/kmol at 306.14 deg K
Surface Tension 4.37X10-2 N/m at 317.65 deg K
Kovats Retention Index 1193 1195 1221.4 1199
Other Experimental Properties The liquid molar volume is 0.116 cu m/kmol. The ideal gas Heat of Formation is 3.72X10+7 J/kmol.
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 157.55 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 156.9930561 g/mol
Monoisotopic Mass 156.9930561 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 134
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

O-nitrochlorobenzene appears as yellow crystals with an aromatic odor. Sinks in water. (USCG, 1999)