2-(3-Bromophenyl)-2-methyl-1-propanol

Basic Information

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CAS Number

81606-48-6

Molecular Formula

C10H13BrO

Molecular Weight

229.12 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(CO)c1cccc(Br)c1

InChI

InChI=1S/C10H13BrO/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3

InChIKey

IAJLEXJOQGSTAW-UHFFFAOYSA-N

LogP

2.719000000000001

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,2-Dimethyl-2-(3-bromophenyl)ethanol
2-(3-BroMophenyl)-2-Methylpropan-1-ol

MDL Number

MFCD11040622

FAQ

What are the physical and chemical properties of 2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6)?

2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6) is a colorless to light yellow liquid with a molecular weight of approximately 231.04 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It is a solid at room temperature and has a melting point of -25°C and a boiling point around 135°C.

How is 2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6) typically synthesized?

2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6) is typically synthesized via a bromination reaction of 2-methyl-1-propanol followed by a coupling reaction. The synthesis involves the use of bromine in the presence of a suitable base such as potassium hydroxide. The reaction is carried out under anhydrous conditions to prevent side reactions. The product is then purified by recrystallization or distillation.

What industries use 2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6)?

2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6) is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drugs. It also finds applications in the production of organic pigments, as a monomer in polymer synthesis, and in the development of new materials.

What precautions should be taken when handling 2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6)?

When handling 2-(3-Bromophenyl)-2-methyl-1-propanol (CAS: 81606-48-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure proper ventilation in the work area and use a fume hood when opening containers or performing reactions. Spills should be handled carefully, using absorbent materials, and the area should be cleaned thoroughly. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.