4-Bromo-O-xylene

C₈H₉BrCAS 583-71-1185.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₉Br
Molar mass: 185.06 g/mol
Exact mass: 183.9888 Da
Density: 1.364 g/mL (at 20 °C)
Melting point: −0.2 °C
Boiling point: 214.5 °C
logP: 3.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed88% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation94% of notifiers
H400 Very toxic to aquatic life82% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

583-71-1

SMILES

Cc1ccc(Br)cc1C

InChIKey

QOGHRLGTXVMRLM-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

9 names

Benzene, 4-bromo-1,2-dimethyl-
o-Xylene, 4-bromo-
4-Bromo-1,2-dimethylbenzene
1-Bromo-3,4-dimethylbenzene
3,4-Dimethylbromobenzene
4-Bromo-1,2-xylene
3,4-Xylyl bromide
3,4-Dimethylphenyl bromide
NSC 60147

Reactions

4-BROMO-o-XYLENE (o-Xylene, 4-bromo-)product

Work with 4-Bromo-O-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

2,4-Dibromo-1-methylbenzene31543-75-665 % similar 2,5-Dibromotoluene615-59-865 % similar 5-Bromo-2-iodotoluene116632-39-463 % similar 4-Bromo-2-methylphenol2362-12-160 % similar 5-Bromo-2-methylbenzenamine39478-78-960 % similar 4-Bromo-2-fluorotoluene51436-99-860 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-460 % similar 5-Bromo-2-chlorotoluene54932-72-860 % 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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