9-Anthracenecarboxaldehyde - CAS 642-31-9
Catalog: |
BB032410 |
Product Name: |
9-Anthracenecarboxaldehyde |
CAS: |
642-31-9 |
Synonyms: |
anthracene-9-carbaldehyde |
IUPAC Name: | anthracene-9-carbaldehyde |
Description: | 9-Anthracenecarboxaldehyde (CAS# 642-31-9) is a fluorescent substrate used for determining P450 enzyme activities in rats and humans. |
Molecular Weight: | 206.24 |
Molecular Formula: | C15H10O |
Canonical SMILES: | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O |
InChI: | InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H |
InChI Key: | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
Boiling Point: | 405.7 °C at 760 mmHg |
Purity: | > 99.0 % (GC) |
Density: | 1.217 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00001254 |
LogP: | 3.80550 |
GHS Hazard Statement: | H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-111848525-A | Design, synthesis and application of pinane-based chiral olefin and carbene ligand | 20200730 |
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PMID | Publication Date | Title | Journal |
22982382 | 20121201 | Fe(3+)-selective fluorescent probe based on aminoantipyrine in aqueous solution | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22666037 | 20120101 | 2:1 multiplexing function in a simple molecular system | Sensors (Basel, Switzerland) |
22199959 | 20111201 | N-[(E)-Anthracen-9-yl-methyl-idene]-3,4-dimethyl-1,2-oxazol-5-amine | Acta crystallographica. Section E, Structure reports online |
22058743 | 20111001 | (E)-N-(Anthracen-9-yl-methyl-idene)-4-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
22065671 | 20111001 | Redetermination of (E)-3-(anthracen-9-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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