2-Nitrofluorene - CAS 607-57-8
Catalog: |
BB030794 |
Product Name: |
2-Nitrofluorene |
CAS: |
607-57-8 |
Synonyms: |
2-nitro-9H-fluorene |
IUPAC Name: | 2-nitro-9H-fluorene |
Description: | 2-Nitrofluorene (CAS# 607-57-8) is a genotoxic compound and also a biomaker that affects the DNA of living organisms. An environmental pollutant. |
Molecular Weight: | 211.22 |
Molecular Formula: | C13H9NO2 |
Canonical SMILES: | C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-] |
InChI: | InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2 |
InChI Key: | XFOHWECQTFIEIX-UHFFFAOYSA-N |
Boiling Point: | 374.7 °C at 760 mmHg |
Melting Point: | 155-158 °C |
Purity: | > 99.0 % (LC) |
Density: | 1.318 g/cm3 |
Appearance: | Cream-colored solid. |
Storage: | Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage. |
Decomposition: | When heated to decomp it emits fumes of /nitrogen oxides |
MDL: | MFCD00001117 |
LogP: | 3.68920 |
Vapor Pressure: | 0.00000954 [mmHg] |
GHS Hazard Statement: | H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] |
Precautionary Statement: | P201, P202, P273, P281, P308+P313, P391, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112680498-A | High-throughput screening method for genotoxic substances | 20201228 |
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PMID | Publication Date | Title | Journal |
29094189 | 20180201 | Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons | Archives of toxicology |
28635296 | 20170713 | Benzoxaborole Antimalarial Agents. Part 5. Lead Optimization of Novel Amide Pyrazinyloxy Benzoxaboroles and Identification of a Preclinical Candidate | Journal of medicinal chemistry |
28186253 | 20170501 | Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs | Toxicological sciences : an official journal of the Society of Toxicology |
26134551 | 20150828 | Novel benzidine and diaminofluorene prolinamide derivatives as potent hepatitis C virus NS5A inhibitors | European journal of medicinal chemistry |
23052194 | 20121101 | Comparison of genotoxicant-modified transcriptomic responses in conventional and epigenetically stabilized primary rat hepatocytes with in vivo rat liver data | Archives of toxicology |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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