4-Bromo-3,5-dimethylphenol - CAS 7463-51-6
Catalog: |
BB035122 |
Product Name: |
4-Bromo-3,5-dimethylphenol |
CAS: |
7463-51-6 |
Synonyms: |
4-bromo-3,5-dimethylphenol |
IUPAC Name: | 4-bromo-3,5-dimethylphenol |
Description: | 4-Bromo-3,5-dimethylphenol (CAS# 7463-51-6) is used as a reactant in the synthesis of chromen-4-one and isoflavone scaffolds. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)O |
InChI: | InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
InChI Key: | WMUWDPLTTLJNPE-UHFFFAOYSA-N |
Boiling Point: | 259 °C |
Purity: | 95 % |
Density: | 1.471 g/cm3 |
MDL: | MFCD00002315 |
LogP: | 2.77150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-6870778-B1 | Resin composition for molding and electronic component equipment | 20201211 |
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PMID | Publication Date | Title | Journal |
18237438 | 20080131 | Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms | BMC structural biology |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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