| Identification | More | [Name]
4-Bromo-2,6-di-tert-butylphenol | [CAS]
1139-52-2 | [Synonyms]
2,6-DI-TERT-BUTYL-4-BROMOPHENOL
4-BROMO-2,6-DI-T-BUTYLPHENOL
4-BROMO-2,6-DI-TERT-BUTYLPHENOL
4-BROMO-2,6-DI-TERT-PHENOL
Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-
4-Bromo-2,6-bis(1,1-dimethylethyl)phenol | [EINECS(EC#)]
214-521-8 | [Molecular Formula]
C14H21BrO | [MDL Number]
MFCD00051598 | [Molecular Weight]
285.22 | [MOL File]
1139-52-2.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to brown crystals | [Melting point ]
78-83 °C (dec.)(lit.) | [Boiling point ]
128 °C / 4mmHg | [density ]
1.2457 (rough estimate) | [refractive index ]
1.5130 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
11.23±0.40(Predicted) | [color ]
White to Orange to Green | [BRN ]
2051052 | [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 | [InChIKey]
SSQQUEKFNSJLKX-UHFFFAOYSA-N | [SMILES]
CC(C)(C)c1cc(Br)cc(c1O)C(C)(C)C | [CAS DataBase Reference]
1139-52-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29081990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to brown crystals | [Uses]
4-Bromo-2,6-di-tert-butylphenol may be used in the following studies:
- As a terminating comonomer phenol in the phase transfer catalyzed (PTC) polymerization of 4-bromo-2,6-dimethylphenol.
- Synthesis of 1,1-[1,10-decanediylbis(oxy)]bis[(2,6-ditertbutyl-4-bromo)benzene], a monomer, which forms poly(p-phenylenevinylene) derivatives by reaction with 1,10-dibromodecane.
- As a reactant in the synthesis of 2,6-di-tert-butyl-phenolnorbornene (NArOH), a norbornene comonomer bearing an antioxidant hindered phenol.
- As a catalyst with methyl aluminium to form methylaluminum bis(4-bromo-2,6-di-tert-butylphenoxide) (MABR) which may be utilized for the transformation of various epoxides to carbonyl compounds.
| [General Description]
4-Bromo-2,6-di-tert-butylphenol is a 4-substituted-2,6-di-tert-butylphenol. It is synthesized by the bromination of 2,6-di-tert-butylphenol. The structure was confirmed by 1H NMR. Its photolysis reaction in benzene solution has been investigated. The photochemical reaction of 4-bromo-2,6-di-tert-butylphenol single crystals doped with 2,6-di-tert-butyl-p-quinone has been studied by EPR spectroscopy. |
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