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3-Nitroperylene
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Name

3-Nitroperylene

 EINECS N/A
CAS No. 20589-63-3 Density 1.429g/cm3
PSA 45.82000 LogP 6.16860
Solubility N/A Melting Point N/A
Formula C20H11NO2 Boiling Point 533.5°C at 760 mmHg
Molecular Weight 297.313 Flash Point 265.4°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. Questionable carcinogen. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 20589-63-3 (3-NITROPERYLENE) Hazard Symbols N/A
Synonyms

3-nitroperilene;Perylene,3-nitro;3-Nitro-perylen;Perylene, 3-nitro-;3-Nitro-perylene;

Article Data 9

3-Nitroperylene Chemical Properties

Molecule structure of 3-Nitroperylene (CAS NO.20589-63-3) :

IUPAC Name: 3-nitroperylene 
Molecular Weight: 297.30684 g/mol
Molecular Formula: C20H11NO2 
Density: 1.429 g/cm3 
Boiling Point: 533.5 °C at 760 mmHg 
Flash Point: 265.4 °C
Index of Refraction: 1.901
Molar Refractivity: 96.85 cm3
Molar Volume: 207.9 cm3
Polarizability: 38.39*10-24 cm3
Surface Tension: 73.5 dyne/cm 
Enthalpy of Vaporization: 77.92 kJ/mol
Vapour Pressure: 6.33E-11 mmHg at 25 °C 
XLogP3: 6.1
H-Bond Acceptor: 2
Exact Mass: 297.078979
MonoIsotopic Mass: 297.078979
Topological Polar Surface Area: 43.1
Heavy Atom Count: 23
Complexity: 487
Canonical SMILES: C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C20H11NO2/c22-21(23)18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
InChIKey of 3-Nitroperylene (CAS NO.20589-63-3) : QZJXXFWGAGHMGG-UHFFFAOYSA-N

3-Nitroperylene Toxicity Data With Reference

1.    

mic-bac-sat 1 nmol/plate

     SCIEAS    Science. 202 (1978),515.
2.    

mic-bac-sat 200 ng/plate

     CRNGDP    Carcinogenesis. 5 (1984),925.

3-Nitroperylene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 313.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 313.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 313.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

3-Nitroperylene Safety Profile

Mutation data reported. Questionable carcinogen. When heated to decomposition it emits toxic vapors of NOx.

3-Nitroperylene Specification

 3-Nitroperylene (CAS NO.20589-63-3)  is also called 4-05-00-02690 (Beilstein Handbook Reference) ; BRN 1888364 ; CCRIS 4148 ; Perylene, 3-nitro- .

 

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