1,3-Bis(bromomethyl)benzene

C₈H₈Br₂CAS 626-15-3263.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈Br₂
Molar mass: 263.96 g/mol
Exact mass: 261.8993 Da
Melting point: 77 °C
Boiling point: 158–160 °C (at 12 Torr)
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled79.2% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

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

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501

Identifiers

CAS number

626-15-3

SMILES

BrCc1cccc(CBr)c1

InChIKey

OXHOPZLBSSTTBU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzene, 1,3-bis(bromomethyl)-
m-Xylene, α,α′-dibromo-
m-Xylylene dibromide
α,α′-Dibromo-m-xylene
m-Bis(bromomethyl)benzene
m-(Bromomethyl)benzyl bromide
α,α′-m-Xylene dibromide
NSC 28040
α,α′-Dibromo-1,3-xylene
1,3-Dibromomethyl benzene

Work with 1,3-Bis(bromomethyl)benzene

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-Fluorobenzyl bromide456-41-768 % similar 3-Chlorobenzyl bromide766-80-368 % similar 3-Bromobenzyl bromide823-78-968 % similar 3-(Bromomethyl)biphenyl14704-31-565 % similar 3-Iodobenzyl bromide49617-83-665 % similar 3-Methylbenzyl bromide620-13-365 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-165 % similar Benzyl bromide100-39-063 % 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 1,4-Dibromo-2,3-dimethylbenzene75024-22-5 Xylylene dibromide91-13-4 (1,2-Dibromoethyl)benzene93-52-7

Elsewhere

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