5-bromo-benzooxazole - CAS 132244-31-6
Catalog: |
BB007568 |
Product Name: |
5-bromo-benzooxazole |
CAS: |
132244-31-6 |
Synonyms: |
5-bromo-1,3-benzoxazole; 5-bromo-1,3-benzoxazole |
IUPAC Name: | 5-bromo-1,3-benzoxazole |
Description: | 5-bromo-benzooxazole (CAS# 132244-31-6) is a useful research chemical. |
Molecular Weight: | 198.02 |
Molecular Formula: | C7H4BrNO |
Canonical SMILES: | C1=CC2=C(C=C1Br)N=CO2 |
InChI: | InChI=1S/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H |
InChI Key: | PGOGTWDYLFKOHI-UHFFFAOYSA-N |
Boiling Point: | 251.169 °C at 760 mmHg |
Melting Point: | 38-40 °C |
Purity: | 97 % |
Density: | 1.711 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD03095026 |
LogP: | 2.59030 |
GHS Hazard Statement: | H302 (97.44%): 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-111620768-A | Method for synthesizing aryl ketone compound by using AQ as photocatalyst | 20200616 |
CN-111646875-A | Method for synthesizing aryl ketone compound by taking TBADT as photocatalyst | 20200616 |
US-2020032401-A1 | Ultraviolet-stabilized corrosion inhibitors | 20180725 |
US-10889901-B2 | Ultraviolet-stabilized corrosion inhibitors | 20180725 |
CN-108586375-B | Green method for synthesizing 2-substituted benzoxazole compound through biocatalytic oxidative cyclization | 20180613 |
Complexity: | 131 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.94763 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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