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108-90-7

108-90-7 structural image
Product Name: Chlorobenzene
Formula: C6H5Cl
Synonyms: Chlorobenzene;Phenyl chloride;Chlorobenzene in DMSO;Chlorobenzene solution;Chlorobezene ZerO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Chlorobenzene appears as a colorless to clear, yellowish liquid with a sweet almond-like odor. Flash point 84 °F. Practically insoluble in water and somewhat denser than water (9.2 lb / gal). Vapors heavier than air. Used to make pesticides, dyes, and other chemicals.
Color/Form Colorless liquid
Odor Faint, not unpleasant odor
Boiling Point 270 °F at 760 mmHg (NTP, 1992)
Melting Point -49 °F (NTP, 1992)
Flash Point 75 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.11 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 3.88 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 8.8 mmHg at 68 °F ; 11.8 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 2.84
Henry's Law Constant Henry's Law constant = 3.11X10-3 atm-cu m/mol at 25 °C
Autoignition Temperature 1099 °F (USCG, 1999)
Viscosity 0.806 mPa.s at 20 °C
Corrosivity Liquid chlorobenzene will attack some forms of plastics, rubber, and coatings
Heat of Combustion -3100 kJ/mol at 25 °C
Heat of Vaporization 40.97 kJ/mol at 25 deg
Surface Tension 33.5 dynes/cm at 20 °C
Ionization Potential 9.07 eV
Odor Threshold Odor Threshold Low: 0.08 [mmHg] Odor Threshold High: 5.9 [mmHg] Detection odor threshold from AIHA (mean = 1.3 ppm)
Refractive Index Index of refraction: 1.5241 at 20 °C/D
Relative Evaporation Rate 1 (Butyl acetate = 1)
Kovats Retention Index 831.2 821.2 826.5 825.3 830 833 825 839 839 859.3 833 830.32 834 836 838.8 842 850 827 815 850.3 832 840 875 875 860 832 836 840 844 850 834 839 844 835 842 849 856 850 839 838.9 828 829.4 855 837 831.4 834.9 844 839 824 829 841 842 846 850 844 860 834 839 836 820 827 839 844 860 850
Other Experimental Properties Very refractive liquid
Chemical Classes Solvents -> Chlorinated Aromatics

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H332:Acute toxicity,inhalation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P273:Avoid release to the environment.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 112.55 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 112.0079779 g/mol
Monoisotopic Mass 112.0079779 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 46.1
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

Chlorobenzene is a colorless, flammable liquid with an aromatic, almond-like odor. Some of it will dissolve in water, but it readily evaporates into air. It does not occur naturally in the environment. Chlorobenzene production in the United States has declined by more than 60% from its peak in 1960. It was used in the past to make other chemicals, such as phenol and DDT. Now chlorobenzene is used as a solvent for some pesticide formulations, to degrease automobile parts, and as a chemical intermediate to make several other chemicals.

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