5-Bromo-1,3-difluoro-2-nitrobenzene

C₆H₂BrF₂NO₂CAS 147808-42-2237.99 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 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 2 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

147808-42-2

SMILES

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

InChIKey

ABAGKHWCTWMUDH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

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

1,3,5-Trifluoro-2-nitrobenzene315-14-066 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-361 % similar 4-Bromo-2-fluoro-6-nitrophenol320-76-360 % similar 4-Bromo-2-fluoro-6-nitrotoluene502496-34-660 % similar 1,3-Difluoro-2-nitrobenzene19064-24-557 % similar 1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-056 % similar 3,5-Difluoro-4-nitrobenzonitrile1123172-88-256 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,5-difluoronitrobenzene167415-27-2 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-4

Elsewhere

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