1-Bromo-2,3,5-trichlorobenzene

C₆H₂BrCl₃CAS 81067-38-1260.34 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂BrCl₃
Molar mass: 260.34 g/mol
Exact mass: 257.8405 Da
logP: 4.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H312 Harmful in contact with skin87% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled87% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

81067-38-1

SMILES

Clc1cc(Cl)c(Cl)c(Br)c1

InChIKey

WOIGJFAVHOCDDW-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrCl3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

Weigh it out

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

Names and synonyms

1 names

Benzene, 1-bromo-2,3,5-trichloro-

Work with 1-Bromo-2,3,5-trichlorobenzene

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

1,2,3,5-Tetrachlorobenzene634-90-264 % similar 1-Bromo-2,3-dichloro-5-methylbenzene960305-14-059 % similar 1-Bromo-2,5-dichloro-3-fluorobenzene202865-57-457 % similar 2-Bromo-4,6-dichloroaniline697-86-957 % similar 1-Bromo-2,3-dichlorobenzene56961-77-456 % similar 1-Bromo-2,4-dichlorobenzene1193-72-252 % similar 2-Bromo-1,4-dichlorobenzene1435-50-352 % similar 2,3,5-Trichlorophenol933-78-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3,5-trichlorobenzene19393-96-5 5-Bromo-1,2,3-trichlorobenzene21928-51-8

Elsewhere

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