6-Nitropiperonal - CAS 712-97-0
Catalog: |
BB034354 |
Product Name: |
6-Nitropiperonal |
CAS: |
712-97-0 |
Synonyms: |
6-nitro-1,3-benzodioxole-5-carbaldehyde |
IUPAC Name: | 6-nitro-1,3-benzodioxole-5-carbaldehyde |
Description: | 6-Nitropiperonal (CAS# 712-97-0) is a compound useful in organic synthesis. |
Molecular Weight: | 195.13 |
Molecular Formula: | C8H5NO5 |
Canonical SMILES: | C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2 |
InChI Key: | NRZWECORTTWSEF-UHFFFAOYSA-N |
Boiling Point: | 365.9 °C at 760 mmHg |
Density: | 1.572 g/cm3 |
MDL: | MFCD00005829 |
LogP: | 1.65920 |
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 |
16189558 | 20051001 | Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.01677226 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.01677226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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