1-Bromo-3-chloro-2,4-difluorobenzene

C₆H₂BrClF₂CAS 201849-13-0227.43 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂BrClF₂
Molar mass: 227.43 g/mol
Exact mass: 225.8996 Da
logP: 3.38Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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

P210, 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, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

201849-13-0

SMILES

C1=CC(=C(C(=C1F)Cl)F)Br

InChIKey

LVPMWOPCTHLVRH-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H

Weigh it out

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

Work with 1-Bromo-3-chloro-2,4-difluorobenzene

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-Bromo-2,3,4-trifluorobenzene176317-02-562 % similar 1-Bromo-2-chloro-3-fluorobenzene883499-24-959 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-357 % similar 1-Bromo-2,3-difluorobenzene38573-88-556 % similar 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-555 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-954 % similar 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-953 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-6 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-6

Elsewhere

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