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297-78-9

297-78-9 structural image
Product Name: ISOBENZAN
Formula: C9H4Cl8O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Crystals. The technical product is a whitish to light-brown crystalline powder with a mild chemical odor. Used as an insecticide. Not registered as a pesticide in the U.S. (EPA, 1998)
Color/Form Whitish to light brown powder
Melting Point 248 to 252 °F (EPA, 1998)
Solubility Sol in ether, acetone, benzene, xylene, heavy aromatic naphtha
Density 1.87 (EPA, 1998) - Denser than water; will sink
Vapor Pressure 1e-05 mmHg at 77 °F (EPA, 1998)
LogP log Kow = 4.51 /Estimated/
Henry's Law Constant Henry's Law constant = 5.9X10-8 atm-cu m/mol at 25 °C /Estimated/
Stability/Shelf Life Relatively stable to acids; dehydrochlorination may occur under strong akaline conditions.
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Kovats Retention Index 1969.8
Other Experimental Properties Hexane/acetonitrile partition coefficient -0.03 (log)
Chemical Classes Pesticides -> Organochlorine Pesticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 411.7 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 411.771136 g/mol
Monoisotopic Mass 407.777036 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 426
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Crystals. The technical product is a whitish to light-brown crystalline powder with a mild chemical odor. Used as an insecticide. Not registered as a pesticide in the U.S. (EPA, 1998)