3-Fluoro-4-nitrobenzyl bromide

C₇H₅BrFNO₂CAS 131858-37-2234.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 2.63Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed10% of notifiers
H314 Causes severe skin burns and eye damage90% of notifiers
H315 Causes skin irritation10% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation30% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

131858-37-2

SMILES

C1=CC(=C(C=C1CBr)F)[N+](=O)[O-]

InChIKey

ZOZJSWIXPIVMRU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,4H2

Weigh it out

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

Work with 3-Fluoro-4-nitrobenzyl bromide

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-fluoro-1-nitrobenzene321-23-359 % similar 2,4-Difluoronitrobenzene446-35-558 % similar 3-Fluoro-4-nitrobenzenamine2369-13-355 % similar 3-Fluoro-4-nitrophenol394-41-255 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-455 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-855 % similar 4-Methoxy-3-nitrobenzyl bromide61010-34-255 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 2-Amino-3-bromo-5-fluorobenzoic acid259269-84-6 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5 4-Bromo-2-fluoro-6-nitrotoluene502496-34-6

Elsewhere

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