Bromo-p-xylene

C₈H₉BrCAS 553-94-6185.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉Br
Molar mass: 185.06 g/mol
Exact mass: 183.9888 Da
Density: 1.339 g/mL (at 32 °C)
Melting point: 9 °C
Boiling point: 199 °C
logP: 3.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

553-94-6

SMILES

Cc1ccc(C)c(Br)c1

InChIKey

QXISTPDUYKNPLU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

10 names

Benzene, 2-bromo-1,4-dimethyl-
p-Xylene, 2-bromo-
2-Bromo-1,4-dimethylbenzene
2-Bromo-p-xylene
2-Bromo-1,4-xylene
1-Bromo-2,5-dimethylbenzene
2,5-Dimethylbromobenzene
2,5-Dimethylphenyl bromide
2,5-Xylyl bromide
NSC 8051

Work with Bromo-p-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2,4-dimethylbenzene583-70-067 % similar 1,2-Dibromo-4-methylbenzene60956-23-265 % similar 3-Bromo-4-iodotoluene71838-16-962 % similar 2,4-Dibromo-1-methylbenzene31543-75-660 % similar 1,2,4-Trimethylbenzene95-63-657 % similar 2-Bromo-4-fluorotoluene1422-53-356 % similar 2-Bromo-4-chloro-1-methylbenzene27139-97-556 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-056 % 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 5-Bromo-M-xylene556-96-7 2-Bromo-1,3-dimethylbenzene576-22-7 1-Bromo-2,3-dimethylbenzene576-23-8

Elsewhere

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