1,2-Dibromo-4-methylbenzene

C₇H₆Br₂CAS 60956-23-2249.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆Br₂
Molar mass: 249.93 g/mol
Exact mass: 247.8836 Da
Density: 1.8197 g/mL (at 25 °C)
Melting point: 2 °C
Boiling point: 123–124 °C (at 19 Torr)
logP: 3.52Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

60956-23-2

SMILES

Cc1ccc(Br)c(Br)c1

InChIKey

LDCPXNOCWDGYIU-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

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

Names and synonyms

4 names

Benzene, 1,2-dibromo-4-methyl-
Toluene, 3,4-dibromo-
3,4-Dibromotoluene
NSC 139879

Work with 1,2-Dibromo-4-methylbenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromo-P-xylene553-94-665 % similar 1-Bromo-2,4-dimethylbenzene583-70-065 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-060 % similar 4-Bromo-3-fluorotoluene452-74-460 % similar 2-Bromo-1-chloro-4-methylbenzene57310-39-160 % similar 2-Bromo-4-methylphenol6627-55-060 % similar 2-Bromo-4-methylanisole22002-45-556 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-148 % similar

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

Same formula

3,5-Dibromotoluene1611-92-3 2,4-Dibromo-1-methylbenzene31543-75-6 2-Bromobenzyl bromide3433-80-5 4-Bromobenzyl bromide589-15-1 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

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