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89-61-2

89-61-2 structural image
Product Name: 2,5-Dichloronitrobenzene
Formula: C6H3Cl2NO2
Synonyms: 2,5-Dichloronitrobenzene;Nitro-p-dichlorobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow solid; [ICSC] Yellow crystals; [Sigma-Aldrich MSDS]
Color/Form Plates or prisms from alcohol, plates from ethyl acetate
Boiling Point 267 °C
Melting Point 56 °C
Flash Point 135 °C
Solubility In water, 95 mg/L at 25 °C
Density 1.669 at 22 °C
Vapor Density Relative vapor density (air = 1): 6.6
Vapor Pressure 0.00505 [mmHg]
LogP log Kow = 3.09
Henry's Law Constant Henry's Law constant = 1.5X10-5 atm-cu m/mol at 25 °C
Autoignition Temperature 465 °C
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
pH pH = 6.9 (80 mg/L water) at 20 °C
Surface Tension 6.6 (Air = 1)
Refractive Index Index of refraction: 1.4390 at 75 °C
Kovats Retention Index 1367.2 1356.6
Other Experimental Properties log Kow = 2.93 at 25 °C (OECD TG 107)
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 192.00 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 190.9540837 g/mol
Monoisotopic Mass 190.9540837 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 159
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