2-Bromo-5-hydroxybenzaldehyde - CAS 2973-80-0
Catalog: |
BB020299 |
Product Name: |
2-Bromo-5-hydroxybenzaldehyde |
CAS: |
2973-80-0 |
Synonyms: |
2-bromo-5-hydroxybenzaldehyde |
IUPAC Name: | 2-bromo-5-hydroxybenzaldehyde |
Description: | A reactant used in the preparation of many pharmaceutical agents: Bcl-XL, PDE4 inhibitors, inhibitors of prostate cancer cell growth and anti-inflamatory agents. |
Molecular Weight: | 201.02 |
Molecular Formula: | C7H5BrO2 |
Canonical SMILES: | C1=CC(=C(C=C1O)C=O)Br |
InChI: | InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H |
InChI Key: | SCRQAWQJSSKCFN-UHFFFAOYSA-N |
Boiling Point: | 286.7 ℃ at 760 mmHg |
Melting Point: | 130-135 ℃ |
Purity: | 95 % |
Density: | 1.737 g/cm3 |
Storage: | Room temperature. |
MDL: | MFCD03033065 |
LogP: | 1.96720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336781-A | Preparation method of clitorium | 20210615 |
CN-113336780-A | Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester | 20210525 |
CN-113214300-A | Preparation method of Criboboro key intermediate | 20210415 |
CN-112759605-A | Method for synthesizing Criboborol intermediate by using microchannel reactor | 20210126 |
CN-112851703-A | Preparation method of clitorium | 20210126 |
PMID | Publication Date | Title | Journal |
21200751 | 20071206 | Redetermination of 4-hydroxy-benzaldehyde | 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: | 1.7 |
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