5-Bromosalicylaldehyde - CAS 1761-61-1
Catalog: |
BB013198 |
Product Name: |
5-Bromosalicylaldehyde |
CAS: |
1761-61-1 |
Synonyms: |
Benzaldehyde, 5-bromo-2-hydroxy-; Salicylaldehyde, 5-bromo-; 2-Hydroxy-5-bromobenzaldehyde; 3-Bromo-6-hydroxybenzaldehyde; 4-Bromo-2-formylphenol; NSC 7310; NSC 9258 |
IUPAC Name: | 5-bromo-2-hydroxybenzaldehyde |
Molecular Weight: | 201.02 |
Molecular Formula: | C7H5BrO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C=O)O |
InChI: | InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
InChI Key: | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
Boiling Point: | 247.3±20.0°C at 760 mmHg |
Melting Point: | 102-105°C |
Purity: | ≥95% |
Density: | 1.737±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Ethyl Acetate |
Appearance: | Pale Yellow Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00003330 |
LogP: | 1.96720 |
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 |
24172244 | 20131029 | Synthesis, characterization, X-ray structure and biological activities of C-5-bromo-2-hydroxyphenylcalix[4]-2-methyl resorcinarene | Molecules (Basel, Switzerland) |
22969441 | 20120901 | [1-(5-Bromo-2-oxidobenzyl-idene)thio-semicarbazidato-κ(3)O,N(1),S](pyridine-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
22590211 | 20120501 | (E)-N'-(5-Bromo-2-hy-droxy-benzyl-idene)-4-(dimethyl-amino)-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
22590328 | 20120501 | A monoclinic polymorph of (R,R)-4,4'-dibromo-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol | Acta crystallographica. Section E, Structure reports online |
22589761 | 20120401 | catena-Poly[[[aqua-manganese(III)]-μ-(E)-5-bromo-N-[2-(5-bromo-2-oxidobenzyl-idene-amino)-4-nitro-phen-yl]-2-oxidobenzamidato] N,N-dimethyl-fomamide monosolvate] | 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: | 199.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.94729 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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