3,5-Dibromotoluene

C₇H₆Br₂CAS 1611-92-3249.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆Br₂
Molar mass: 249.93 g/mol
Exact mass: 247.8836 Da
Melting point: 201–202 °C
Boiling point: 98–100 °C (at 8 Torr)
logP: 3.52Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

1611-92-3

SMILES

Cc1cc(Br)cc(Br)c1

InChIKey

DPKKOVGCHDUSAI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,3-dibromo-5-methyl-
Toluene, 3,5-dibromo-
1,3-Dibromo-5-methylbenzene
NSC 87347
5-Methyl-1,3-dibromobenzene

Work with 3,5-Dibromotoluene

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

1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar 3-Bromo-5-methylbenzenamine74586-53-164 % similar 3-Bromo-5-methylpyridine3430-16-852 % similar 4-Bromotoluene106-38-750 % similar Mesitylene108-67-850 % similar 4-Bromo-2,6-dimethylphenol2374-05-248 % similar 2,4,6-Tribromotoluene6320-40-745 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-243 % similar

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

Same formula

2,4-Dibromo-1-methylbenzene31543-75-6 2-Bromobenzyl bromide3433-80-5 4-Bromobenzyl bromide589-15-1 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

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