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618-87-1

618-87-1 structural image
Product Name: 3,5-DINITROANILINE
Formula: C6H5N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 321.42

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P262:Do not get in eyes, on skin, or on clothing.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 183.12 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 183.02800565 g/mol
Monoisotopic Mass 183.02800565 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 199
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