1,3-Dinitropyrene - CAS 75321-20-9
Catalog: |
BB035293 |
Product Name: |
1,3-Dinitropyrene |
CAS: |
75321-20-9 |
Synonyms: |
1,3-dinitropyrene |
IUPAC Name: | 1,3-dinitropyrene |
Description: | 1,3-Dinitropyrene (CAS# 75321-20-9 ) is a useful research chemical. |
Molecular Weight: | 292.25 |
Molecular Formula: | C16H8N2O4 |
Canonical SMILES: | C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H |
InChI Key: | KTNUVDBUEAQUON-UHFFFAOYSA-N |
Boiling Point: | 493.9 °C at 760 mmHg |
Density: | 1.574 g/cm3 |
Appearance: | Yellow to orange powder or crystals |
LogP: | 5.44680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019023167-A | Process for producing 1,3-pyrene dicarbaldehyde and its synthetic intermediate | 20170721 |
US-2015090343-A1 | Innovation to assay mixing | 20131002 |
US-9766213-B2 | Innovation to assay mixing | 20131002 |
WO-2015051171-A1 | Innovation to assay mixing | 20131002 |
US-2008051519-A1 | Polymers functionalized with nitro compounds | 20060828 |
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 |
22659122 | 20120918 | Modification of the umu-assay (ISO 13829) accounting for cytotoxicity in genotoxicity assessment: a preliminary study | Mutation research |
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: | 446 |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS