2-Bromo-4,6-di-tert-butylphenol

C₁₄H₂₁BrOCAS 20834-61-1285.22 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₄H₂₁BrO
Molar mass: 285.22 g/mol
Exact mass: 284.0776 Da
Melting point: 59–61 °C
Boiling point: 141–142 °C
logP: 4.75Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

20834-61-1

SMILES

CC(C)(C)c1cc(Br)c(O)c(C(C)(C)C)c1

InChIKey

DIWZVAHZEOFSLS-UHFFFAOYSA-N

InChI

InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Phenol, 2-bromo-4,6-bis(1,1-dimethylethyl)-
Phenol, 2-bromo-4,6-di-tert-butyl-
2-Bromo-4,6-bis(1,1-dimethylethyl)phenol
2-Bromo-4,6-bis(tert-butyl)phenol
4,6-Di(tert-butyl)-2-bromophenol
6-Bromo-2,4-tert-butylphenol
2-Bromo-4,6-ditert-butylphenol

Work with 2-Bromo-4,6-di-tert-butylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tri-tert-butylphenol732-26-370 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-863 % similar 3,5-Di-tert-butylcatechol1020-31-161 % similar Tetrabromobisphenol A79-94-755 % similar 2-Bromo-4-tert-butylphenol2198-66-555 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-753 % similar 4-Chloro-3,5-dibromo-tert-butylbenzene1000578-25-550 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2,6-di-tert-butylphenol1139-52-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook