1,3,5-Tris(bromomethyl)benzene

C₉H₉Br₃CAS 18226-42-1356.88 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉Br₃
Molar mass: 356.88 g/mol
Exact mass: 353.8254 Da
logP: 4.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

18226-42-1

SMILES

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

InChIKey

GHITVUOBZBZMND-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2

Weigh it out

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

Work with 1,3,5-Tris(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

3,5-Bis(bromomethyl)toluene19294-04-367 % similar 1,3-Bis(bromomethyl)benzene626-15-365 % similar 3,5-Dibromobenzyl bromide56908-88-461 % similar 1,4-Bis(bromomethyl)benzene623-24-560 % similar 3,5-Difluorobenzyl bromide141776-91-258 % similar 3,5-Dimethylbenzyl bromide27129-86-858 % similar 3,4,5-Trifluorobenzyl bromide220141-72-052 % similar Benzyl bromide100-39-050 % similar

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

Same formula

1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook