5-Bromo-M-xylene

C₈H₉BrCAS 556-96-7185.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉Br
Molar mass: 185.06 g/mol
Exact mass: 183.9888 Da
logP: 3.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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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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