4-Bromo-2-nitrobenzyl bromide

C₇H₅Br₂NO₂CAS 82420-34-6294.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₅Br₂NO₂
Molar mass: 294.93 g/mol
Exact mass: 292.8687 Da
logP: 3.25Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

82420-34-6

SMILES

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

InChIKey

NHSJBMQFFQYDGQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br2NO2/c8-4-5-1-2-6(9)3-7(5)10(11)12/h1-3H,4H2

Weigh it out

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

Work with 4-Bromo-2-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-nitrobenzyl alcohol22996-19-669 % similar 4-Bromo-1,2-dinitrobenzene610-38-864 % similar 2,5-Dibromonitrobenzene3460-18-260 % similar Alpha-Bromo-2-nitrotoluene3958-60-960 % similar 4-Bromomethyl-3-nitrobenzoic acid55715-03-259 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-857 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-257 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3,5-dibromobenzoic acid4123-72-2 2-Amino-3,5-dibromobenzoic acid609-85-8

Elsewhere

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