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97-02-9

97-02-9 structural image
Product Name: 2,4-Dinitroaniline
Formula: C6H5N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,4-dinitroaniline appears as yellow powder or crystals with a musty odor. Sinks in water. (USCG, 1999)
Color/Form YELLOW NEEDLES FROM DIL ACETONE, GREENISH-YELLOW PLATES FROM ALCOHOL.
Odor Musty odor
Boiling Point 56.7 °C
Melting Point 349 to 352 °F (NTP, 1992)
Flash Point 435 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 73 °F (NTP, 1992)
Density 1.615 at 59 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 6.31 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.0000268 [mmHg]
LogP 1.84 (estimated)
Decomposition WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES.
Ionization Efficiency Positive
Dissociation Constants pKa: 18.46
Other Experimental Properties UV: 3120 (Sadtler Research Laboratories Spectral Collection) /2,3-Dinitroaniline/
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
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
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 221
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

2,4-dinitroaniline appears as yellow powder or crystals with a musty odor. Sinks in water. (USCG, 1999)