2-(Bromomethyl)-1-fluoro-3-nitrobenzene

C₇H₅BrFNO₂CAS 1958-93-6234.02 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

H314 Causes severe skin burns and eye damage15.2% of notifiers
H315 Causes skin irritation84.8% of notifiers
H319 Causes serious eye irritation84.8% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1958-93-6

SMILES

O=[N+]([O-])c1cccc(F)c1CBr

InChIKey

KKSODTKRSQTJFZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 2-(bromomethyl)-1-fluoro-3-nitro-
Toluene, α-bromo-2-fluoro-6-nitro-
2-Fluoro-6-nitrobenzyl bromide
2-Bromomethyl-1-fluoro-3-nitrobenzene

Work with 2-(Bromomethyl)-1-fluoro-3-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

1,2-Difluoro-3-nitrobenzene6921-22-860 % similar 2-Bromo-1-fluoro-3-nitrobenzene59255-94-659 % similar 1-Fluoro-2-nitrobenzene1493-27-259 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-957 % similar 2,6-Difluorobenzyl bromide85118-00-956 % similar 2-Fluoro-6-nitrophenol1526-17-655 % similar 2-Fluoro-6-nitrobenzenamine17809-36-855 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 3-Fluoro-4-nitrobenzyl bromide131858-37-2 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 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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