4-Bromo-3-methylphenol

Basic Information

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CAS Number

14472-14-1

Molecular Formula

C7H7BrO

Molecular Weight

187.04 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

59-61 °C

Boiling Point

142-145 °C/23 mmHg

Flash Point

142-145℃/23mm

Refractive Index

1.5772 (estimate)

SMILES

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CC1=C(C=CC(=C1)O)Br

InChI

InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

InChIKey

GPOQODYGMUTOQL-UHFFFAOYSA-N

LogP

2.463120000000001

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

94.9

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-bromo-5-methyl-phenol
AKOS000274493
4-Bromo-m-cresol
B3658
4-bromo-3-methyl-phenol
m-Cresol, 4-bromo-
4-bromo-3-methyl phenol
AM20020498
SCHEMBL49999
14472-14-1
DTXSID80162791
NS00024706
Z401597308
AS-17315
Phenol, 4-bromo-3-methyl-
MFCD00079723
CS-D0701
SB33667
InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H
9KTP3W6RV2
BP-12644
Phenol, 4-bromo-3-methyl-;4-Bromo-3-methylphenol
4-Bromo-3-methylphenol
EINECS 238-464-3
4-Bromo-3-methylphenol #
4-Bromo-3-methylphenol, 98%
AC-6544
FT-0617828
EN300-111587
SY007895
W-108150

MDL Number

MFCD00079723

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Bromo-3-methylphenol (CAS: 14472-14-1)?

4-Bromo-3-methylphenol (CAS: 14472-14-1) is a white crystalline solid with a molecular weight of approximately 189.03 g/mol. It has a pKa of about 8.2. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles and can undergo substitution reactions. It is a weak acid and exhibits weak basic properties under certain conditions.

How is 4-Bromo-3-methylphenol (CAS: 14472-14-1) typically synthesized?

4-Bromo-3-methylphenol (CAS: 14472-14-1) is typically synthesized via the bromination of 3-methylphenol using N-bromosuccinimide (NBS) as a brominating agent under UV light. The reaction is conducted in a chloroform or acetone solvent at room temperature. The yield is around 75-80%, and the product is usually purified by recrystallization from hot ethanol.

What industries use 4-Bromo-3-methylphenol (CAS: 14472-14-1)?

4-Bromo-3-methylphenol (CAS: 14472-14-1) finds applications in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in the polymer industry for the production of certain types of polyphenols. Additionally, it is employed in the development of sensors and semiconductor materials due to its redox properties and aromatic structure.

What precautions should be taken when handling 4-Bromo-3-methylphenol (CAS: 14472-14-1)?

When handling 4-Bromo-3-methylphenol (CAS: 14472-14-1), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be performed in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.