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99-56-9

99-56-9 structural image
Product Name: 4-Nitro-o-phenylenediamine
Formula: C6H7N3O2
Synonyms: 1,2-Diamino-4-nitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 4-nitro-o-phenylenediamine appears as dark red needles or red solid. (NTP, 1992)
Color/Form Dark red needles from dilute alcohol
Melting Point 390 to 394 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68.9 °F (NTP, 1992)
Vapor Pressure 0.000109 [mmHg]
LogP log Kow = 0.88
Dissociation Constants pKa = 2.61 (conjugate acid)
Chemical Classes Nitrogen Compounds -> Nitroanilines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 153.14 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 153.053826475 g/mol
Monoisotopic Mass 153.053826475 g/mol
Topological Polar Surface Area 97.9 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 156
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

4-nitro-o-phenylenediamine appears as dark red needles or red solid. (NTP, 1992)

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