1,6-Dinitropyrene - CAS 42397-64-8
Catalog: |
BB025128 |
Product Name: |
1,6-Dinitropyrene |
CAS: |
42397-64-8 |
Synonyms: |
1,6-dinitropyrene |
IUPAC Name: | 1,6-dinitropyrene |
Description: | 1,6-Dinitropyrene (CAS# 42397-64-8) is a useful research chemical compound. |
Molecular Weight: | 292.25 |
Molecular Formula: | C16H8N2O4 |
Canonical SMILES: | C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H |
InChI Key: | GUXACCKTQWVTLG-UHFFFAOYSA-N |
Boiling Point: | 515.2 °C at 760 mmHg |
Melting Point: | 300 °C |
Density: | 1.574 g/cm3 |
Appearance: | Yellow powder or crystals |
Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxide |
MDL: | MFCD00010494 |
LogP: | 5.44680 |
Vapor Pressure: | 9.1X10-10 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H350 (100%): May cause cancer [Danger Carcinogenicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020298212-A1 | Iron oxide supported rhodium catalyst for nitroarene reduction | 20190320 |
KR-20190012816-A | Method of preparing graphene quantum dot, hardmask composition including the graphene quantum dot obtained by the method, method of forming patterning using the hardmask composition, and hardmask formed from the hardmask composition | 20170728 |
US-2019031906-A1 | Method of preparing graphene quantum dot, hardmask composition including the graphene quantum dot obtained by the method, method of forming pattern using the hardmask composition, and hardmask formed from the hardmask composition | 20170728 |
US-10808142-B2 | Method of preparing graphene quantum dot, hardmask composition including the graphene quantum dot obtained by the method, method of forming patterns using the hardmask composition, and hardmask formed from the hardmask composition | 20170728 |
JP-2019023167-A | Process for producing 1,3-pyrene dicarbaldehyde and its synthetic intermediate | 20170721 |
PMID | Publication Date | Title | Journal |
29094189 | 20180201 | Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons | Archives of toxicology |
28186253 | 20170501 | Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs | Toxicological sciences : an official journal of the Society of Toxicology |
22790705 | 20120813 | A new imidazolium-embedded C18 stationary phase with enhanced performance in reversed-phase liquid chromatography | Analytica chimica acta |
20737582 | 20120501 | Environmental nitration processes enhance the mutagenic potency of aromatic compounds | Environmental toxicology |
22351035 | 20120401 | Metabolic activation of diesel exhaust carcinogens in primary and immortalized human TP53 knock-in (Hupki) mouse embryo fibroblasts | Environmental and molecular mutagenesis |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.04840674 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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