2-Bromo-4-fluoro-1-nitrobenzene

C₆H₃BrFNO₂CAS 700-36-7220.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃BrFNO₂
Molar mass: 220.00 g/mol
Exact mass: 218.9331 Da
Melting point: 42 °C
Boiling point: 70–75 °C (at 0.4 Torr)
logP: 2.50Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 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

700-36-7

SMILES

O=[N+]([O-])c1ccc(F)cc1Br

InChIKey

VGYVBEJDXIPSDL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-bromo-4-fluoro-1-nitro-
1-Bromo-5-fluoro-2-nitrobenzene
2-Bromo-4-fluoronitrobenzene

Work with 2-Bromo-4-fluoro-1-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-Fluoro-1,2-dinitrobenzene364-53-470 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 2,4-Dibromonitrobenzene51686-78-364 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-561 % similar 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-561 % similar 2,5-Difluoronitrobenzene364-74-961 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-560 % similar 5-Fluoro-2-nitrobenzenamine2369-11-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-nitrobenzene185331-69-5 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-5 4-Bromo-2-fluoro-1-nitrobenzene321-23-3 4-Bromo-1-fluoro-2-nitrobenzene364-73-8 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-7 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 3-Bromo-2-fluoronitrobenzene58534-94-4

Elsewhere

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