1-Bromo-2,3-dichloro-5-methylbenzene

C₇H₅BrCl₂CAS 960305-14-0239.92 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅BrCl₂
Molar mass: 239.92 g/mol
Exact mass: 237.8952 Da
logP: 4.06Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

960305-14-0

SMILES

CC1=CC(=C(C(=C1)Br)Cl)Cl

InChIKey

CEOHKQQUAYAZNB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrCl2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

3-Bromo-4,5-dichlorotoluene

Work with 1-Bromo-2,3-dichloro-5-methylbenzene

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

4-Chloro-3,5-dibromotoluene202925-05-178 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-159 % similar 2-Bromo-1-chloro-4-methylbenzene57310-39-157 % similar 1-Bromo-2,3-dichlorobenzene56961-77-454 % similar 4-Bromo-3-chlorotoluene6627-51-654 % similar 3,5-Dibromo-4-iodotoluene175278-10-146 % similar 2,6-Dibromo-4-methylphenol2432-14-646 % similar 2,6-Dibromo-4-methylaniline6968-24-746 % similar

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

Same formula

3,4-Dichlorobenzyl bromide18880-04-1 2,6-Dichlorobenzyl bromide20443-98-5 2,4-Dichlorobenzyl bromide20443-99-6 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-3 2,3-Dichlorobenzyl bromide57915-78-3 2,5-Dichlorobenzyl bromide85482-13-9

Elsewhere

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