4-Bromo-2,5-difluoronitrobenzene

C₆H₂BrF₂NO₂CAS 167415-27-2237.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂BrF₂NO₂
Molar mass: 237.99 g/mol
Exact mass: 236.9237 Da
logP: 2.64Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled10% 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 irritation90% of notifiers

Aggregated from 10 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

167415-27-2

SMILES

C1=C(C(=CC(=C1F)Br)F)[N+](=O)[O-]

InChIKey

GJFYMYJYPARISZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

Weigh it out

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

Work with 4-Bromo-2,5-difluoronitrobenzene

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

1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-580 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-171 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-571 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-766 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-666 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-466 % similar 1-Bromo-4-chloro-5-fluoro-2-nitrobenzene960000-93-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-2 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-4

Elsewhere

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