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211419

Sigma-Aldrich

5-Bromo-1,2,4-trimethylbenzene

99%

Synonym(s):

5-Bromopseudocumene

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About This Item

Linear Formula:
BrC6H2(CH3)3
CAS Number:
5469-19-2
Molecular Weight:
199.09
EC Number:
226-793-5
MDL number:
MFCD00000072
UNSPSC Code:
12352100
PubChem Substance ID:
24852685
NACRES:
NA.22
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Quality Level

100

Assay

99%

form

solid

bp

233-235 °C (lit.)

mp

71-73 °C (lit.)

functional group

bromo

SMILES string

Cc1cc(C)c(Br)cc1C

InChI

1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3

InChI key

SCZXFZRJDVZMJI-UHFFFAOYSA-N

Application

5-Bromo-1,2,4-trimethylbenzene was used in the preparation of:
  • 1′,2′-dideoxy-1′-(1,2,4-trimethylphenyl)-3′,5′-di-O-toluoyl-β-D-ribofuranose[1]
  • ubiquinones, also referred as Coenzyme Qn[2]
  • 2, 4, 5-trimethylbenzoic acid[3]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP5463
MKCL7419
MKCJ8885
MKBW6334V
MKBS4469V

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Synthesis of Ubiquinones Utilizing Pd (0)-Catalyzed Stille Coupling.
Jung YS, et al.
Bull. Korean Chem. Soc., 21(5), 463-464 (2000)
2, 4, 5-Trimethylbenzoic Acid.
Barcon A, et al.
Acta Crystallographica Section C, Crystal Structure Communications, 53(12), 1842-1845 (1997)
Barbara A Schweitzer et al.
The Journal of organic chemistry, 59(24), 7238-7242 (1994-12-01)
Described are the design, synthesis, and structures of three nonpolar nucleoside isosteres to be used as probes of noncovalent bonding in DNA and as isosteric replacements for the natural nucleosides in designed nucleic acid structures. Reaction of substituted aryl Grignards

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