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2198-66-5

2198-66-5 Structure

2198-66-5 Structure
IdentificationBack Directory
[Name]

2-BROMO-4-TERT-BUTYLPHENOL
[CAS]

2198-66-5
[Synonyms]

AKOS BBB/374
2-Bromo-4-t-butylphenol
2-BROMO-4-TERT-BUTYLPHENOL
4-TERT-BUTYL-2-BROMOPHENOL
2-Bromo-4-tert-butylphenol >
2-broMo-4-(1,1-diMethylethyl)-
Phenol, 2-bromo-4-(1,1-dimethylethyl)-
[EINECS(EC#)]

218-602-9
[Molecular Formula]

C10H13BrO
[MDL Number]

MFCD02682891
[MOL File]

2198-66-5.mol
[Molecular Weight]

229.11
Chemical PropertiesBack Directory
[Melting point ]

51°C(lit.)
[Boiling point ]

113°C/9mmHg(lit.)
[density ]

1.341±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

8.65±0.18(Predicted)
[color ]

Clear Colourless
[InChI]

InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
[InChIKey]

FFRLMQPMGIMHHQ-UHFFFAOYSA-N
[SMILES]

C1(O)=CC=C(C(C)(C)C)C=C1Br
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2908190090
Hazard InformationBack Directory
[Chemical Properties]

White crystalline
[Uses]

2-Bromo-4-tert-butylphenol is useful synthetic compound that can be used to prepare 2-?Mesityl-?4-?tert-?butylphenol.
[Synthesis]

4-tert-Butylphenol

98-54-4

2-BROMO-4-TERT-BUTYLPHENOL

2198-66-5

A method for the preparation of 2-bromo-4-tert-butylphenol, comprising the steps of S11. dissolving 1 mol 4-tert-butylphenol in 300-500 ml of acetic acid solution at room temperature, followed by adding 150-250 ml of water, stirring well, and then adding 1.01 mol of sodium bromide; S12. slowly dropping in 10% sodium chlorite solution (effective chlorine content of 128.2.0 sodium bromide equivalents) over a period of 1-2 hours at room temperature and stirring; and continuing the reaction for 4-8 hours after dropping. Sodium solution (effective chlorine content of 128.2.0 sodium bromide equivalent), after dropping, continue to stir the reaction at room temperature for 4-8 hours. The conversion of 2-bromo-4-tert-butylphenol prepared by this method was more than 99%, the yield was 97% and the purity of the product was 98.3%.

[References]

[1] Journal of the American Chemical Society, 1982, vol. 104, # 5, p. 1362 - 1368
[2] Chemistry - A European Journal, 2012, vol. 18, # 11, p. 3286 - 3291
[3] Patent: US2014/135320, 2014, A1. Location in patent: Page/Page column 0219
[4] Patent: US2014/135360, 2014, A1. Location in patent: Paragraph 0147
[5] Tetrahedron Asymmetry, 1999, vol. 10, # 3, p. 411 - 427
Spectrum DetailBack Directory
[Spectrum Detail]

2-BROMO-4-TERT-BUTYLPHENOL(2198-66-5)1HNMR
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