1,2,4,5-Tetrakis(bromomethyl)benzene

C₁₀H₁₀Br₄CAS 15442-91-8449.81 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀Br₄
Molar mass: 449.81 g/mol
Exact mass: 445.7516 Da
logP: 5.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

15442-91-8

SMILES

C1=C(C(=CC(=C1CBr)CBr)CBr)CBr

InChIKey

UTXIKCCNBUIWPT-UHFFFAOYSA-N

InChI

InChI=1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2

Weigh it out

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

Work with 1,2,4,5-Tetrakis(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

1,4-Dibromo-2,5-bis(bromomethyl)benzene35335-16-156 % similar Xylylene dibromide91-13-453 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-150 % similar 2,4,5-Trifluorobenzyl bromide157911-56-348 % similar 2,4-Difluorobenzyl bromide23915-07-346 % similar 2,5-Difluorobenzyl bromide85117-99-346 % similar 2-Chlorobenzyl bromide611-17-645 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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