1,5-Dibromo-2,4-bis-bromomethyl-benzene

C₇H₄Br₄CAS 35510-03-3407.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄Br₄
Molar mass: 407.72 g/mol
Exact mass: 403.7047 Da
logP: 5.05Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

35510-03-3

SMILES

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

InChIKey

BBHXYKROLWOEKT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3

Weigh it out

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Work with 1,5-Dibromo-2,4-bis-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

2,3,5,6-Tetrabromo-p-xylene23488-38-256 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-056 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-055 % similar 2,4,6-Tribromo-3-methylphenol4619-74-354 % similar Pentabromotoluene87-83-253 % similar 3,5-Dibromo-4-methylaniline13194-73-550 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-348 % similar 2,4,6-Tribromotoluene6320-40-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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