2,3,4-Trihydroxybenzaldehyde - CAS 2144-08-3
Catalog: |
BB016865 |
Product Name: |
2,3,4-Trihydroxybenzaldehyde |
CAS: |
2144-08-3 |
Synonyms: |
Benzaldehyde, 2,3,4-trihydroxy-; 3,4-Dihydroxysalicylaldehyde; NSC 22595 |
IUPAC Name: | 2,3,4-trihydroxybenzaldehyde |
Description: | 2,3,4-Trihydroxybenzaldehyde (CAS# 2144-08-3) is a phenolic benzaldehyde with antibacterial activity. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H6O4 |
Canonical SMILES: | C1=CC(=C(C(=C1C=O)O)O)O |
InChI: | InChI=1S/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H |
InChI Key: | CRPNQSVBEWWHIJ-UHFFFAOYSA-N |
Boiling Point: | 301.9±37.0°C at 760 mmHg |
Melting Point: | 158°C |
Purity: | ≥95% |
Density: | 1.598±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Light Brown to Beige-brown Powder |
Storage: | Store at RT |
MDL: | MFCD00003325 |
LogP: | 0.61590 |
GHS Hazard Statement: | H302 (59.83%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19454555 | 20110101 | Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea | Evidence-based complementary and alternative medicine : eCAM |
22163979 | 20110101 | Label free inhibitor screening of hepatitis C virus (HCV) NS5B viral protein using RNA oligonucleotide | Sensors (Basel, Switzerland) |
20669927 | 20101111 | Medicinal chemistry as a conduit for the modulation of quorum sensing | Journal of medicinal chemistry |
21589176 | 20101031 | (E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate | Acta crystallographica. Section E, Structure reports online |
20500875 | 20100525 | The severity of Puumala hantavirus induced nephropathia epidemica can be better evaluated using plasma interleukin-6 than C-reactive protein determinations | BMC infectious diseases |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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