Molecular Weight:216.23588 [g/mol]
Molecular Formula:C12H12N2O2
XLogP3:1.5
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:1
Tautomer Count:82
Exact Mass:216.089878
MonoIsotopic Mass:216.089878
Topological Polar Surface Area:92.5
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
Feature 3D Donor Count:4
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:3
Safety and Handling
【Risk Statements】
40
【Safety Statements 】
Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Use and Manufacturing
【Use and Manufacturing】
Methods of Manufacturing
BY ACIDIC IRON REDUCTION OF 4,4-DINITRO-3,3'-BIPHENOL
U.S. Production
(1975) NOT PRODUCED COMMERCIALLY IN USA
(1977) NOT PRODUCED COMMERCIALLY IN USA
Biomedical Effects and Toxicity
【Biomedical Effects and Toxicity】
The average environmental exposure levels of four of the workers /in a dye manufacturing facility/ were 4.3, 5.2, 11.7, and 17.4 mg total particulate/cu m. The corresponding urinary concentrations of benzidine average 52, 11, 10, and 112 ppb, respectively /SRP: from the precursor during manufacturing/. /Benzidine-based dyes/