4-Bromo-2-hydroxybenzaldehyde - CAS 22532-62-3
Catalog: |
BB017652 |
Product Name: |
4-Bromo-2-hydroxybenzaldehyde |
CAS: |
22532-62-3 |
Synonyms: |
4-bromo-2-hydroxybenzaldehyde |
IUPAC Name: | 4-bromo-2-hydroxybenzaldehyde |
Description: | 4-Bromo-2-hydroxybenzaldehyde (CAS# 22532-62-3) is a substituted salicylaldehyde used in the synthesis of BIIB042, a γ-secretase modulator. |
Molecular Weight: | 201.02 |
Molecular Formula: | C7H5BrO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)O)C=O |
InChI: | InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H |
InChI Key: | HXTWKHXDFATMSP-UHFFFAOYSA-N |
Boiling Point: | 256.2 °C at 760 mmHg |
Melting Point: | 50-54 °C |
Purity: | 95 % |
Density: | 1.737 g/cm3 |
MDL: | MFCD06252606 |
LogP: | 1.96720 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22968676 | 20121107 | Synthesis of cyclic polylactide catalysed by bis(salicylaldiminato)tin(II) complexes | Dalton transactions (Cambridge, England : 2003) |
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: | 2.3 |
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