Phenol, 4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)-

HCID 612973CAS 2091-51-2

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Basic information

Standard SMILES: CC(C)(C)c1cc(CBr)cc(C(C)(C)C)c1O
InChIKey: YEOQCOZNFXPHHY-UHFFFAOYSA-N
Molecular formula: C15H23BrO
Average molar mass: 299.25 g/mol
Monoisotopic mass: 298.09322746

Names & identifiers

Preferred name: Phenol, 4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)-
IUPAC: 4-(bromomethyl)-2,6-ditert-butylphenol
English name: 4-(bromomethyl)-2,6-ditert-butyl-phenol
Molecular formula: C15H23BrO
Molecular weight: 299.25

Names & synonyms

2091-51-2Phenol, 4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)-4-(Bromomethyl)-2,6-bis(1,1-dimethylethyl)phenolDTXSID00175065RefChem:369275DTXCID80975564-(BROMOMETHYL)-2,6-DI-TERT-BUTYLPHENOL4-(Bromomethyl)-2,6-ditert-butylphenol2,6-di-tert-butyl-4-bromomethylphenolMFCD001232953,5-di-t-butyl-4-hydroxybenzyl bromideSCHEMBL1163958

Show more names

2,6-Di-t-butyl-4-bromomethylphenol1H-Pyrazole-5-carboxylicacid,1-methyl-3-(4-methylethyl)-

SC51283,5-ditertbutyl-4-hydroxy benzyl bromide4-bromomethyl-2,6-di-tert-butylphenol4-(BROMOMET4-(BROMOMETHYL)-2,6-DITERT-BUTYL-PHENOL2,6-di-t-butyl-4-bromomethyl phenol4-Bromomethyl-2,6di-tert-butyl-phenol4bromomethyl-2,6-di-tert-butyl-phenol

Database identifiers

CAS: 2091-51-2
PubChem CID: 612973
DTXSID: DTXSID00175065
Nikkaji: J1.268.421E

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 54 · 54-55 °C(Solv: ligroine (8032-32-4))
Boiling point: 308.8 · 308.8±37.0 °C(Predicted)
Density: 1.193 · 1.193±0.06 g/cm3(Predicted)
pka: 10.7 · 10.70±0.70(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405