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56-57-5

56-57-5 structural image
Product Name: 4-NITROQUINOLINE N-OXIDE
Formula: C9H6N2O3
Synonyms: 4-Nitroquinoline 1-oxide;4-NQO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish-brown plates or needles or yellow solid. (NTP, 1992)
Color/Form YELLOW NEEDLES OR PLATES FROM ACETONE
Melting Point 309 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Vapor Pressure 0.0000026 [mmHg]
Other Experimental Properties LOW DEGREE OF ELECTROPHILIC REACTIVITY; NITRO GROUP CAN BE REPLACED BY HALOGENS, ALKOXYL, ARYLOXYL, MERCAPTO, & AMINO ACIDS.
Chemical Classes Other Uses -> Biochemical Research

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H350:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 190.16 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 190.03784206 g/mol
Monoisotopic Mass 190.03784206 g/mol
Topological Polar Surface Area 71.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 229
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

Yellowish-brown plates or needles or yellow solid. (NTP, 1992)