4-Bromo-2-methyl-2-butanol

Basic Information

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CAS Number

35979-69-2

Molecular Formula

C5H11BrO

Molecular Weight

167.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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CC(C)(O)CCBr

InChI

InChI=1S/C5H11BrO/c1-5(2,7)3-4-6/h7H,3-4H2,1-2H3

InChIKey

RBFVGQWGOARJRU-UHFFFAOYSA-N

LogP

1.5423

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

Synonyms & References

English

4-Bromo-2-methylbutan-2-ol
4-Bromo-2-methyl-2-butanol
2-BUTANOL, 4-BROMO-2-METHYL-
4-bromo-2-methyl-butan-2-ol
2-Methyl-4-bromo-2-butanol
2-Butanol,4-bromo-2-methyl-
RBFVGQWGOARJRU-UHFFFAOYSA-N
1-bromo-3-hydroxy-3-methylbutane
RB3141
SY043014
AB0024469
ST24023353
W5746

MDL Number

MFCD20483824

FAQ

What are the physical and chemical properties of 4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2)?

4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2) is a colorless to yellowish liquid with a pungent odor. It has a molecular weight of 171.01 g/mol and a boiling point of 132.5°C. It is slightly soluble in water but miscible with ethanol and ether. Chemically, it is reactive toward nucleophiles and can undergo bromine substitution reactions.

How is 4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2) typically synthesized?

4-Bromo-2-methyl-2-butanol is typically synthesized via the bromination of 2-methyl-2-butanol using N-bromosuccinimide (NBS) or bromine in the presence of a solvent like acetonitrile. The reaction is carried out at room temperature, and the product is isolated by distillation. The process has high yield and good selectivity.

What industries use 4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2)?

4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2) is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs) and in the polymer industry as a chemical intermediate. It is also utilized in the production of sensors and semiconductors due to its reactive properties.

What precautions should be taken when handling 4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2)?

When handling 4-Bromo-2-methyl-2-butanol (CAS: 35979-69-2), safety goggles and gloves are essential. The chemical should be handled in a well-ventilated area or a fume hood. In the event of a spill, it should be carefully cleaned up using appropriate personal protective equipment. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.