1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene

C₁₂H₁₅Br₃CAS 21988-87-4398.96 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₂H₁₅Br₃
Molar mass: 398.96 g/mol
Exact mass: 395.8724 Da
Melting point: 184–185 °C
logP: 5.30Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

21988-87-4

SMILES

Cc1c(CBr)c(C)c(CBr)c(C)c1CBr

InChIKey

BHIFXIATEXVOQA-UHFFFAOYSA-N

InChI

InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3

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Names and synonyms

9 names

Benzene, 1,3,5-tris(bromomethyl)-2,4,6-trimethyl-
2,4,6-Tri(bromomethyl)mesitylene
Tris(bromomethyl)mesitylene
1,3,5-Tri(bromomethyl)-2,4,6-trimethylbenzene
2,4,6-Tris(bromomethyl)mesitylene
1,3,5-Tris(bromomethyl)mesitylene
2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene
1,3,5-Tris(4-bromomethyl)-2,4,6-trimethylbenzene
1,3,5-Tris(bromoomethyl)-2,4,6-trimethylbenzene

Work with 1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene

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-Bromomethyl-4-methyl-2,3,5,6-tetrafluorobenzene92814-00-155 % similar Hexakis(bromomethyl)benzene3095-73-653 % similar Pentafluorobenzyl bromide1765-40-838 % similar 4-Methylbenzyl bromide104-81-433 % similar 3,5-Bis(bromomethyl)toluene19294-04-333 % similar 2,6-Dichlorobenzyl bromide20443-98-533 % similar 3,5-Dimethylbenzyl bromide27129-86-833 % similar Hexamethylbenzene87-85-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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