2,6-Dibromotoluene

C7H6Br2CAS 69321-60-4249.93 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C7H6Br2
Molar mass
249.93 g/mol
Exact mass
247.8836 Da
logP
3.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
69321-60-4
SMILES
CC1=C(C=CC=C1Br)Br
InChIKey
OCSKCBIGEMSDIS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

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

Work with 2,6-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

1,4-Dibromo-2,3-dimethylbenzene75024-22-571 % similar 1-Bromo-2,3-dimethylbenzene576-23-870 % similar 3-Bromo-2-methylaniline55289-36-667 % similar 2-Bromo-6-chlorotoluene62356-27-867 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-464 % similar 3-Bromo-2-methylphenol7766-23-664 % similar 2-Bromo-6-iodotoluene97456-81-064 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-158 % 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 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook