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3-Nitrobenzo(a)Pyrene
[CAS# 70021-98-6]

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CAS#: 70021-98-6
Product: 3-Nitrobenzo(a)Pyrene
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Identification
Name 3-Nitrobenzo(a)Pyrene
Synonyms 3-Nitrobenz(A)Pyrene; 3-Nitrobenzo(A)Pyrene; Benzo(A)Pyrene, 3-Nitro-
Molecular Structure CAS#: 70021-98-6, 3-Nitrobenzo(a)Pyrene
Molecular Formula C20H11NO2
Molecular Weight 297.31
CAS Registry Number 70021-98-6
SMILES C2=CC3=CC=C4C1=CC=CC=C1C=C5C=CC(=C2[N+]([O-])=O)C3=C45
InChI 1S/C20H11NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H
InChIKey CQIJHYPCKYZMIV-UHFFFAOYSA-N
Properties
Density 1.43g/cm3 (Cal.)
Boiling point 533.546°C at 760 mmHg (Cal.)
Flash point 265.448°C (Cal.)
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