2-Nitrobenzyl bromide

C₇H₆BrNO₂CAS 3958-60-9216.03 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
Melting point: 42 °C
logP: 2.49Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

3958-60-9

SMILES

O=[N+]([O-])c1ccccc1CBr

InChIKey

HXBMIQJOSHZCFX-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-(bromomethyl)-2-nitro-
Toluene, α-bromo-o-nitro-
1-(Bromomethyl)-2-nitrobenzene
o-Nitrobenzyl bromide
α-Bromo-o-nitrotoluene
o-(Bromomethyl)nitrobenzene
NSC 95415

Work with 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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4

Elsewhere

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