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96-97-9

96-97-9 structural image
Product Name: 5-Nitrosalicylic acid
Formula: C7H5NO5
Synonyms: 2-Hydroxy-5-nitrobenzoic acid;5-Nitrosalicylic acid;5-Nitrosalicylic acid, 5-Nitro-2-hydroxybenzoic acid;Anilotic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish solid; [Merck Index] Tan or orange powder; [Alfa Aesar MSDS]
Vapor Pressure 0.00000116 [mmHg]
Chemical Classes Nitrogen Compounds -> Nitrobenzoic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 183.12 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 183.01677226 g/mol
Monoisotopic Mass 183.01677226 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 223
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

5-nitrosalicylic acid is a monohydroxybenzoic acid in which the hydroxy group is ortho- to the carboxylic acid group and which has a nitro substituent para- to the phenolic hydroxy group. It is a monohydroxybenzoic acid and a member of 4-nitrophenols. It is a conjugate acid of a 5-nitrosalicylate.

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