1,4-Dibromo-2-fluoro-5-nitrobenzene

C₆H₂Br₂FNO₂CAS 366496-33-5298.89 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Br₂FNO₂
Molar mass: 298.89 g/mol
Exact mass: 296.8436 Da
logP: 3.26Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

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
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% 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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

366496-33-5

SMILES

C1=C(C(=CC(=C1Br)F)Br)[N+](=O)[O-]

InChIKey

WDFCYQDGGDTTCT-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2FNO2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H

Weigh it out

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

Work with 1,4-Dibromo-2-fluoro-5-nitrobenzene

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-Bromo-2,5-difluoronitrobenzene167415-27-280 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-480 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-771 % similar 1-Bromo-4-chloro-5-fluoro-2-nitrobenzene960000-93-571 % similar 1,3-Dibromo-4,6-dinitrobenzene24239-82-566 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-062 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-161 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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