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609-99-4

609-99-4 structural image
Product Name: 3,5-Dinitrosalicylic acid
Formula: C7H4N2O7
Synonyms: 2-Hydroxy-3,5-dinitrobenzoic acid;3,5-Dinitro-2-hydroxybenzoic acid;DNS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light yellow solid; [Sigma-Aldrich MSDS]
Vapor Pressure 0.00000002 [mmHg]
Ionization Efficiency Negative
Chemical Classes Nitrogen Compounds -> Nitrobenzoic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H228:Flammable solids
H302:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 228.12 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 228.00185047 g/mol
Monoisotopic Mass 228.00185047 g/mol
Topological Polar Surface Area 149 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 320
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

3,5-dinitrosalicylic acid is a monohydroxybenzoic acid consisting of 2-hydroxybenzoic acid having nitro substituents at the 3- and 5-positions. It is used in colorimetric testing for the presence of free carbonyl groups (C=O) in reducing sugars. It has a role as a hapten. It is a C-nitro compound and a monohydroxybenzoic acid. It is functionally related to a salicylic acid.

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