2,4,5-Tribromotoluene

C₇H₅Br₃CAS 3278-88-4328.83 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅Br₃
Molar mass: 328.83 g/mol
Exact mass: 325.7941 Da
logP: 4.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation11.6% of notifiers
H413 May cause long lasting harmful effects to aquatic life88.4% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3278-88-4

SMILES

CC1=CC(=C(C=C1Br)Br)Br

InChIKey

KZZJNNUPNNBCCH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3

Weigh it out

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

Work with 2,4,5-Tribromotoluene

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

2,5-Dibromo-p-xylene1074-24-488 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-282 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-278 % similar 4,5-Dibromo-O-xylene24932-48-776 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-357 % similar 1,2,4,5-Tetrabromobenzene636-28-256 % similar 4-Bromo-2,5-dimethylphenylboronic acid130870-00-754 % similar 4-Bromo-3-methylaniline6933-10-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromobenzyl bromide56908-88-4 2,4,6-Tribromotoluene6320-40-7

Elsewhere

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