Xylylene dibromide

C₈H₈Br₂CAS 91-13-4263.96 g/mol

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Properties

Molecular formula: C₈H₈Br₂
Molar mass: 263.96 g/mol
Exact mass: 261.8993 Da
Melting point: 95 °C
Boiling point: 140 °C (at 20 Torr)
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed89.6% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

91-13-4

SMILES

BrCc1ccccc1CBr

InChIKey

KGKAYWMGPDWLQZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

14 names · show all

Benzene, 1,2-bis(bromomethyl)-
o-Xylene, α,α′-dibromo-
1,2-Bis(bromomethyl)benzene
α,α′-Dibromo-o-xylene
o-Xylylene dibromide
α,α′-Dibromo-o-xylol
o-Bis(bromomethyl)benzene
1,2-Di(bromomethyl)benzene
o-(Bromomethyl)benzyl bromide
o-Di(bromomethyl)benzene
2-(Bromomethyl)benzyl bromide
α,α′-Dibromo-1,2-xylene
NSC 3986
o-α,α′-Dibromoxylene

Reactions

o-XYLYLENE DIBROMIDE (o-Xylene, α,α'-dibromo-)product

Work with Xylylene dibromide

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

2-Bromobenzyl bromide3433-80-568 % similar 2-Iodobenzyl bromide40400-13-362 % similar 2-Fluorobenzyl bromide446-48-062 % similar 2-Chlorobenzyl bromide611-17-662 % similar 2-Methylbenzyl bromide89-92-962 % similar 1-(Bromomethyl)naphthalene3163-27-759 % similar 2-Cyanobenzyl bromide22115-41-957 % similar 2-Trifluoromethylbenzyl bromide395-44-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dibromo-p-xylene1074-24-4 4,5-Dibromo-O-xylene24932-48-7 1,5-Dibromo-2,4-dimethylbenzene615-87-2 1,4-Bis(bromomethyl)benzene623-24-5 1,3-Bis(bromomethyl)benzene626-15-3 1,4-Dibromo-2,3-dimethylbenzene75024-22-5 (1,2-Dibromoethyl)benzene93-52-7

Elsewhere

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