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3615-21-2

3615-21-2 structural image
Product Name: 4,5-dichloro-2-trifluoromethylBenzimidazole
Formula: C8H3Cl2F3N2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)- appears as a crystalline solid. Fine white needles when pure; the commercial material is brownish. Used as an herbicide. (EPA, 1998)
Color/Form CRYSTALLINE SOLID, FORMING FINE WHITE NEEDLES WHEN PURE.
Melting Point 415 to 417 °F (EPA, 1998)
Flash Point (Non-Specific -- Pesticide, solid, n.o.s.) May burn, but does not ignite readily. (EPA, 1998)
Solubility 69 PPM IN WATER @ 25 °C; SPARINGLY SOL IN METHYL NAPHTHALENE & BENZENE; SOL UP TO 25% IN ETHANOL, ETHER, CHLOROFORM, PROPYLENE GLYCOL, GLYCEROL FORMAL, METHYL NAPHTHALENE; VERY SOL IN ACETONE.
Vapor Pressure 4e-05 mmHg at 72.5 °F (EPA, 1998)
LogP 3.49
Stability/Shelf Life ... VOLATILITY LOW ... AQUEOUS SALT FORMULATIONS ARE BELIEVED CHEMICALLY STABLE IN AIR.
Other Experimental Properties NO DETECTABLE HYDROLYSIS IN AQ ACID OR ALKALI & NO REACTION AT ROOM TEMP WITH NORMAL LAB OXIDIZING AGENTS.
Chemical Classes Pesticides -> Herbicides, Other

COMPUTED DESCRIPTORS

Molecular Weight 255.02 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 253.9625380 g/mol
Monoisotopic Mass 253.9625380 g/mol
Topological Polar Surface Area 28.7 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 249
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

Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)- appears as a crystalline solid. Fine white needles when pure; the commercial material is brownish. Used as an herbicide. (EPA, 1998)