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91-94-1

91-94-1 structural image
Product Name: 3,3'-Dichlorobenzidine
Formula: C12H10Cl2N2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3,3'-dichlorobenzidine is a gray to purple crystalline powder. Insoluble in water. Very toxic. Used in the dye industry, curing agent for isocyanate terminated resins.
Color/Form Needles from alcohol or benzene
Boiling Point 788 °F at 760 mmHg (NIOSH, 2023)
Melting Point 270 to 271 °F (NTP, 1992)
Solubility 0.07 % at 59 °F (NIOSH, 2023)
LogP log Kow = 3.51
Autoignition Temperature 350 °C
Decomposition When heated to decomposition it emits very high toxic fumes of /hydrogen chloride and nitrogen oxides./
pH Weak base
Dissociation Constants pKa1 = 1.6; pKa2 = 3.2
Kovats Retention Index 2416.64 2406.1
Other Experimental Properties Undergoes usual reactions of benzidine derivatives, e.g., formation of diazonium salts and alkyl derivatives
Chemical Classes Nitrogen Compounds -> Benzidine and Derivatives

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H312:Acute toxicity,dermal
H317:Sensitisation, Skin
H350:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 253.12 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 252.0221037 g/mol
Monoisotopic Mass 252.0221037 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 213
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

3,3'-Dichlorobenzidine is a gray-to-purple colored crystalline solid. It changes from a solid to a gas very slowly. 3,3'-Dichlorobenzidine salt is the major form in actual use. It is a stable, off-white colored crystalline solid that does not evaporate. Neither 3,3'-dichlorobenzidine nor its salt are found naturally in the environment. They are manufactured for pigments for printing inks, textiles, plastics and enamels, paint, leather, and rubber.