CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Orange needles; [NTP] |
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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 |
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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 |
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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.