5-Bromo-M-xylene

C8H9BrCAS 556-96-7185.06 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
logP
3.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 78 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
556-96-7
SMILES
CC1=CC(=CC(=C1)Br)C
InChIKey
LMFRTSBQRLSJHC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

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Names and synonyms

1 names
  • Benzene, 1-bromo-3,5-dimethyl-

Work with 5-Bromo-M-xylene

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

3,5-Dibromotoluene1611-92-388 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar 3-Bromo-5-methylbenzenamine74586-53-164 % similar Mesitylene108-67-860 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-458 % similar 3-Bromo-5-(trifluoromethyl)toluene86845-28-556 % similar 3-Bromotoluene591-17-355 % similar 3-Bromo-5-methylpyridine3430-16-852 % 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-2,3-dimethylbenzene576-23-8

Elsewhere

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