3,5-Dinitrosalicylaldehyde - CAS 2460-59-5
Catalog: |
BB018547 |
Product Name: |
3,5-Dinitrosalicylaldehyde |
CAS: |
2460-59-5 |
Synonyms: |
2-hydroxy-3,5-dinitrobenzaldehyde |
IUPAC Name: | 2-hydroxy-3,5-dinitrobenzaldehyde |
Description: | 3,5-Dinitrosalicylaldehyde (CAS# 2460-59-5) is a useful research chemical. |
Molecular Weight: | 212.12 |
Molecular Formula: | C7H4N2O6 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H |
InChI Key: | FLJXIBHYDIMYRS-UHFFFAOYSA-N |
Boiling Point: | 301.5 °C at 760 mmHg |
Density: | 1.721 g/cm3 |
Appearance: | Yellow to orange powder or crystalline powder |
MDL: | MFCD00007103 |
LogP: | 2.06750 |
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 |
12499218 | 20030101 | Drug targeting Mycobacterium tuberculosis cell wall synthesis: development of a microtiter plate-based screen for UDP-galactopyranose mutase and identification of an inhibitor from a uridine-based library | Antimicrobial agents and chemotherapy |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.00693585 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.00693585 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 129 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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