2,6-Difluoronitrobenzene - CAS 19064-24-5
Catalog: |
BB014731 |
Product Name: |
2,6-Difluoronitrobenzene |
CAS: |
19064-24-5 |
Synonyms: |
1,3-difluoro-2-nitrobenzene |
IUPAC Name: | 1,3-difluoro-2-nitrobenzene |
Description: | 2,6-Difluoronitrobenzene (CAS# 19064-24-5) is a useful chemical reagent. |
Molecular Weight: | 159.09 |
Molecular Formula: | C6H3F2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)[N+](=O)[O-])F |
InChI: | InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H |
InChI Key: | SSNCMIDZGFCTST-UHFFFAOYSA-N |
Boiling Point: | 91-92 °C (11 mmHg) |
Density: | 1.503 g/cm3 |
MDL: | MFCD00192035 |
LogP: | 2.39620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18461918 | 20080605 | Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations | The journal of physical chemistry. A |
21201892 | 20080206 | N-(n-Dec-yl)-4-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01318466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01318466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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