4-Bromo-2,6-di-tert-butylphenol - CAS 1139-52-2
Catalog: |
BB003283 |
Product Name: |
4-Bromo-2,6-di-tert-butylphenol |
CAS: |
1139-52-2 |
Synonyms: |
4-bromo-2,6-ditert-butylphenol |
IUPAC Name: | 4-bromo-2,6-ditert-butylphenol |
Description: | 4-Bromo-2,6-di-tert-butylphenol (CAS# 1139-52-2) is a useful research chemical. |
Molecular Weight: | 285.22 |
Molecular Formula: | C14H21BrO |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br |
InChI: | InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3 |
InChI Key: | SSQQUEKFNSJLKX-UHFFFAOYSA-N |
Boiling Point: | 273.9 ℃ at 760 mmHg |
Melting Point: | 78-83 ℃ |
Purity: | 95 % |
Density: | 1.201 g/cm3 |
Appearance: | White to yellow to yellow-green solid, powder, crystals and/or chunks |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00051598 |
LogP: | 4.74970 |
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 |
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PMID | Publication Date | Title | Journal |
12062189 | 20020501 | Design and synthesis of 2,6-diprenyl-4-iodophenol TX-1952 with a novel and potent anti-peroxidative activity | Comparative biochemistry and physiology. Part A, Molecular & integrative physiology |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.07758 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.07758 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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