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57835-92-4

57835-92-4 structural image
Product Name: 4-NITROPYRENE
Formula: C16H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Orange needles; [NTP]
Color/Form Orange needles from methyl carbonate/methanol
Melting Point 190-192 °C
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Kovats Retention Index 413.95 415.52 415.64
Other Experimental Properties When heated to decomposition ... emits toxic fumes of NOx
Chemical Classes Other Classes -> Polycyclic Aromatic Hydrocarbons

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 247.25 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 247.063328530 g/mol
Monoisotopic Mass 247.063328530 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 377
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-Nitropyrene is a member of pyrenes.