4-Chloro-2-hydroxybenzaldehyde - CAS 2420-26-0
Catalog: |
BB018368 |
Product Name: |
4-Chloro-2-hydroxybenzaldehyde |
CAS: |
2420-26-0 |
Synonyms: |
4-chloro-2-hydroxybenzaldehyde; 4-chloro-2-hydroxybenzaldehyde |
IUPAC Name: | 4-chloro-2-hydroxybenzaldehyde |
Description: | 4-Chloro-2-hydroxybenzaldehyde (CAS# 2420-26-0) is an intermediate used to prepare benzodiazepine diones as Hdm2 antagonists. It is also used to synthesize hydroxy-dimethyl-oxo-cyclohexenyl-dimethyl-tetrahydro-xanthenone as oral neuropeptide Y5 receptor antagonist. |
Molecular Weight: | 156.57 |
Molecular Formula: | C7H5ClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)O)C=O |
InChI: | InChI=1S/C7H5ClO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H |
InChI Key: | QNZWAJZEJAOVPN-UHFFFAOYSA-N |
Boiling Point: | 229.1 °C at 760 mmHg |
Density: | 1.404 g/cm3 |
MDL: | MFCD06252499 |
LogP: | 1.85810 |
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 |
22346883 | 20120201 | {4-Bromo-2-[(5-chloro-2-oxidophen-yl)imino-methyl]-phenolato-κO,N,O'}(methanol-κO)(methano-lato-κO)-oxidovanadium(V) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.9978071 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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