chempirical

1-Bromo-2,3-dimethylbenzene

C8H9BrCAS 576-23-8185.06 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C8H9Br
Molar mass
185.06 g/mol
Exact mass
183.9888 Da
Density
1.366 g/mL (at 15 °C)
Boiling point
214 °C
logP
3.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
576-23-8
SMILES
Cc1cccc(Br)c1C
InChIKey
WLPXNBYWDDYJTN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Benzene, 1-bromo-2,3-dimethyl-
  • o-Xylene, 3-bromo-
  • 2,3-Dimethylbromobenzene
  • 3-Bromo-o-xylene
  • 3-Bromo-1,2-xylene
  • 3-Bromo-1,2-dimethylbenzene
  • NSC 76561

Work with 1-Bromo-2,3-dimethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromotoluene95-46-559 % similar 3-Bromo-2-methylaniline55289-36-656 % similar 2-Bromo-6-chlorotoluene62356-27-856 % similar 2-Bromo-6-methylphenol13319-71-654 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-454 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-954 % similar 1-Iodo-2,3-dimethylbenzene31599-60-752 % similar 1-Chloro-2,3-dimethylbenzene608-23-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Phenylethyl bromide103-63-9 4-Methylbenzyl bromide104-81-4 1-Bromo-4-ethylbenzene1585-07-5 1-Bromo-2-ethylbenzene1973-22-4 1-Bromo-3-ethylbenzene2725-82-8 Bromo-P-xylene553-94-6 2-Bromo-1,3-dimethylbenzene576-22-7 1-Bromo-2,4-dimethylbenzene583-70-0

Elsewhere

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