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4-Bromo-2-methylphenol

Basic information Safety Supplier Related

4-Bromo-2-methylphenol Basic information

Product Name:
4-Bromo-2-methylphenol
Synonyms:
  • ORTHO-CRESOL,4-BROMO-
  • 4-BROMO-2-METHYLPHENOL 98%
  • 4-BROMO-2-METHYLPHENOL
  • AKOS BBB/369
  • 4-bromo-o-creso
  • 4-Bromo-o-cresol
  • o-Cresol, 4-bromo-
  • Phenol, 4-bromo-2-methyl-
CAS:
2362-12-1
MF:
C7H7BrO
MW:
187.03
Product Categories:
  • alcohol| alkyl bromide
  • Benzene series
  • Phenol&Thiophenol&Mercaptan
  • API intermediates
Mol File:
2362-12-1.mol
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4-Bromo-2-methylphenol Chemical Properties

Melting point:
63-67 °C
Boiling point:
63-67°C
Density 
1.3839 (rough estimate)
refractive index 
1.5772 (estimate)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
form 
powder to lump
pka
9.74±0.18(Predicted)
color 
White to Light yellow to Light orange
Water Solubility 
Slightly soluble in water.
InChI
InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey
IWJGMJHAIUBWKT-UHFFFAOYSA-N
SMILES
C1(O)=CC=C(Br)C=C1C
CAS DataBase Reference
2362-12-1(CAS DataBase Reference)
NIST Chemistry Reference
4-Bromo-2-methylphenol(2362-12-1)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-22
Safety Statements 
26-36/37/39-24/25
WGK Germany 
WGK 3
RTECS 
GO6868000
Hazard Note 
Irritant
HazardClass 
IRRITANT, IRRITANT-HARMFUL
HS Code 
29089990
Storage Class
13 - Non Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral
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4-Bromo-2-methylphenol Usage And Synthesis

Chemical Properties

White solid

Uses

4-Bromo-2-methylphenol, is used as a pharmaceutical intermediate.

Synthesis

o-Toluene ( 1 mmol) was dissolved in 3 mL of ethanol and 1.02 was added to the resulting mixture. mmol of N-bromosuccinimide purified by recrystallization. The resulting mixture was stirred at room temperature for 1 The progress of the reaction was monitored by passing a TLC spot plate to ensure that all the ingredients were fully reacted, and then the solvent ethanol was removed under reduced pressure. Then 10 mL of ethyl acetate and 10 m were added to the reaction system. L distilled water, the mixture was transferred to a partition funnel to separate the organic ( ethyl acetate ) fraction, and then ethyl acetate ( 2 ?? 7 m ) was used to extract the water. L) to extract the aqueous layer. All the ethyl acetate extracts were combined and dried over anhydrous Mg SO4, the organic solvent was spun dry, and the crude product was purified by column chromatographic separation to give the target product molecule 4-bromo-2-methylphenol.

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