5-Bromo-2,3-difluorophenol - CAS 186590-26-1
Catalog: |
BB014345 |
Product Name: |
5-Bromo-2,3-difluorophenol |
CAS: |
186590-26-1 |
Synonyms: |
5-bromo-2,3-difluorophenol |
IUPAC Name: | 5-bromo-2,3-difluorophenol |
Description: | 5-Bromo-2,3-difluorophenol (CAS# 186590-26-1) is a useful research chemical. |
Molecular Weight: | 208.99 |
Molecular Formula: | C6H3BrF2O |
Canonical SMILES: | C1=C(C=C(C(=C1F)F)O)Br |
InChI: | InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H |
InChI Key: | QAHCQGXGAYRHHW-UHFFFAOYSA-N |
Boiling Point: | 65-66 °C / 0.1 mmHg |
Melting Point: | 223 °C (dec.)(lit.) |
Purity: | 98 % |
Density: | 1.356 g/cm3 |
Appearance: | Pale yellow to yellow clear liquid |
MDL: | MFCD01631350 |
LogP: | 2.43290 |
GHS Hazard Statement: | H302 (10.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341455-A | Tetrahydropyridoaromatic heterocyclic inhibitor and preparation method and application thereof | 20190806 |
US-2020308163-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
WO-2020198368-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
US-2020239476-A1 | Gpr35 modulators | 20190124 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.93353 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.93353 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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