4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol

Basic Information

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CAS Number

1139-52-2

Molecular Formula

C14H21BrO

Molecular Weight

285.22 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

82.0 to 85.0 deg-C

Boiling Point

128°C/4mmHg

Flash Point

119.4 °C

Refractive Index

1.5130 (estimate)

SMILES

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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

InChIKey

SSQQUEKFNSJLKX-UHFFFAOYSA-N

LogP

4.749700000000004

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

212

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Bromo-2,6-di-tert-butylphenol
EINECS 214-521-8
NSC-98406
4-Hydroxy-3,5-di(tert-butyl)bromobenzene
2,6-Di-tert-butyl-4-bromophenol
Phenol, 4-bromo-2,6-di-tert-butyl-
CHEMBL389620
4-Bromo-2,6-Di-tert-Butyl Phenol
Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-
FT-0617747
2,6-bis(tert-butyl)-4-bromophenol
1139-52-2
2,6-Bis(1,1-dimethylethyl)-4-bromophenol
4-bromo-2,6-ditertbutylphenol
4-bromo-2,6-di-t-butyl-phenol
SY048521
EN300-7366590
W-108610
STR06712
4-Brom-2,6-di-tert.-butylphenol
NS00023701
BR1061
AKOS005256902
B1758
4-bromo-2,6-ditert-butylphenol
SCHEMBL49614
NSC98406
4-bromo-2,6-di(t-butyl)phenol
MFCD00051598
4-BROMO-2,6-DI-T-BUTYLPHENOL
CS-0154931

MDL Number

MFCD00051598

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2)?

4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2) is a crystalline solid with a molecular weight of approximately 356.01 g/mol. It has a low water solubility, with a solubility of about 0.01 g/L. Chemically, it is relatively unreactive, showing limited reactivity towards common nucleophiles and electrophiles. It has a melting point of around 55-57°C and a boiling point of approximately 232-234°C. This compound is often used in organic synthesis and pharmaceutical applications.

How is 4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2) typically synthesized?

4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol is typically synthesized via a multi-step process. It involves the bromination of 2,6-bis(2-methyl-2-propanyl)phenol using bromine in the presence of a suitable base. The reaction is carried out under anhydrous conditions to minimize side reactions. This method provides good yield and selectivity, making it a common approach in academic and industrial settings.

What industries use 4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2)?

4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2) is utilized in various industries, particularly in pharmaceuticals, where it serves as a precursor for the synthesis of active pharmaceutical ingredients. It is also used in polymer chemistry for the modification of polymer properties and in semiconductor manufacturing for etching processes. Additionally, it plays a role in the development of chemical sensors due to its unique reactivity and stability.

What precautions should be taken when handling 4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2)?

When handling 4-Bromo-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 1139-52-2), it is essential to follow safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Ensure the work area is well-ventilated and use a fume hood to minimize exposure. Spills should be cleaned up immediately using a suitable absorbent material. It is recommended to consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.