5-Bromo-2-hydroxybenzonitrile - CAS 40530-18-5
Catalog: |
BB024555 |
Product Name: |
5-Bromo-2-hydroxybenzonitrile |
CAS: |
40530-18-5 |
Synonyms: |
5-bromo-2-hydroxybenzonitrile |
IUPAC Name: | 5-bromo-2-hydroxybenzonitrile |
Description: | 5-Bromo-2-hydroxybenzonitrile (CAS# 40530-18-5) is a useful research chemical. |
Molecular Weight: | 198.02 |
Molecular Formula: | C7H4BrNO |
Canonical SMILES: | C1=CC(=C(C=C1Br)C#N)O |
InChI: | InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H |
InChI Key: | PVCONXMDUZOPJH-UHFFFAOYSA-N |
Boiling Point: | 282.8 °C at 760 mmHg |
Melting Point: | 160 °C |
Purity: | 95 % |
Density: | 1.79 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00143428 |
LogP: | 2.02638 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111574997-A | Fluorescent probe for detecting enzymatic activity of SARM1, and preparation method and application thereof | 20200611 |
CN-113072551-A | Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof | 20200103 |
CN-109212110-B | Gas chromatography-mass spectrometry combined method for measuring three trace monohalogenated hydroxyl benzonitrile in river water | 20180819 |
WO-2020009176-A1 | Amide compound having bet proteolysis-inducing action and medicinal application thereof | 20180704 |
JP-2020186251-A | Amide compounds with BET proteolysis-inducing action and their uses as pharmaceuticals | 20180704 |
PMID | Publication Date | Title | Journal |
22969519 | 20120901 | 5-Bromo-2-hy-droxy-benzonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.94763 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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