2-Chloro-3-hydroxybenzaldehyde - CAS 56962-10-8
Catalog: |
BB029548 |
Product Name: |
2-Chloro-3-hydroxybenzaldehyde |
CAS: |
56962-10-8 |
Synonyms: |
2-chloro-3-hydroxybenzaldehyde |
IUPAC Name: | 2-chloro-3-hydroxybenzaldehyde |
Description: | 2-Chloro-3-hydroxybenzaldehyde (CAS# 56962-10-8) is a versatile building block used in the preparation of positional isomers of NOSH-aspirin a dual nitric oxide and hydrogen sulfide releasing hybrid pharmaceutical. |
Molecular Weight: | 156.57 |
Molecular Formula: | C7H5ClO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)O)Cl)C=O |
InChI: | InChI=1S/C7H5ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H |
InChI Key: | SEEAPLJEIJXFFU-UHFFFAOYSA-N |
Boiling Point: | 245 ℃ at 760 mmHg |
Melting Point: | 139-143 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.404 g/cm3 |
Appearance: | White to beige powder or crystals |
MDL: | MFCD06798118 |
LogP: | 1.85810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021139647-A1 | Biphenyl fluorine double bond derivative, preparation method therefor, and pharmaceutical application thereof | 20200107 |
WO-2021020429-A1 | Urea compound for antagonizing lpa1 receptor | 20190730 |
WO-2020243049-A1 | Factor xi activation inhibitors | 20190530 |
AU-2018271876-A1 | Pyrazole MAGL inhibitors | 20170523 |
AU-2018273888-A1 | Pyrazole MAGL inhibitors | 20170523 |
PMID | Publication Date | Title | Journal |
20884284 | 20101201 | Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
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: | 1.7 |
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