1-Bromo-2,3-dichlorobenzene

C₆H₃BrCl₂CAS 56961-77-4225.89 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃BrCl₂
Molar mass: 225.89 g/mol
Exact mass: 223.8795 Da
Melting point: 60 °C
Boiling point: 245 °C
logP: 3.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed38.2% of notifiers
H315 Causes skin irritation61.8% of notifiers
H319 Causes serious eye irritation61.8% of notifiers
H335 May cause respiratory irritation60.5% of notifiers
H411 Toxic to aquatic life with long lasting effects36.8% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

56961-77-4

SMILES

Clc1cccc(Br)c1Cl

InChIKey

HVKCZUVMQPUWSX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-bromo-2,3-dichloro-
2,3-Dichloro-1-bromobenzene
2,3-Dichlorophenyl bromide
2,3-Dichlorobromobenzene

Work with 1-Bromo-2,3-dichlorobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dibromo-2-chlorobenzene19230-27-468 % similar 1,2,3-Trichlorobenzene87-61-663 % similar 1-Bromo-2-chlorobenzene694-80-462 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-156 % similar 1-Bromo-2,3-dichloro-5-methylbenzene960305-14-054 % similar 1-Bromo-3-chloro-2-fluorobenzene144584-65-652 % similar 1-Bromo-8-chloronaphthalene20816-79-952 % similar 2-Bromo-6-chlorotoluene62356-27-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,4-dichlorobenzene1193-72-2 2-Bromo-1,4-dichlorobenzene1435-50-3 4-Bromo-1,2-dichlorobenzene18282-59-2 2-Bromo-1,3-dichlorobenzene19393-92-1 Bromo-3,5-dichlorobenzene19752-55-7

Elsewhere

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