Hexakis(bromomethyl)benzene

C₁₂H₁₂Br₆CAS 3095-73-6635.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂Br₆
Molar mass: 635.65 g/mol
Exact mass: 629.6039 Da
Melting point: 297 °C
logP: 7.06Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

3095-73-6

SMILES

BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr

InChIKey

XJOUCILNLRXRTF-UHFFFAOYSA-N

InChI

InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)-
Benzene, hexakis(bromomethyl)-
1,2,3,4,5,6-Hexakis(bromomethyl)benzene
NSC 28057
1,2,3,4,5,6-Hexa(bromomethyl)benzene

Work with Hexakis(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

1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene21988-87-453 % similar Pentafluorobenzyl bromide1765-40-850 % similar 2,6-Dichlorobenzyl bromide20443-98-542 % similar 1,2,4,5-Tetrakis(bromomethyl)benzene15442-91-840 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-140 % similar 1,4-Bis(bromomethyl)benzene623-24-540 % similar 2,6-Difluorobenzyl bromide85118-00-940 % similar 2,4,6-Trifluorobenzyl bromide151411-98-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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