1-Bromo-5-fluoro-2-methyl-4-nitrobenzene

C₇H₅BrFNO₂CAS 64695-96-1234.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 2.80Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

64695-96-1

SMILES

CC1=CC(=C(C=C1Br)F)[N+](=O)[O-]

InChIKey

RYWJXYWJUJFEMD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

Weigh it out

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

Work with 1-Bromo-5-fluoro-2-methyl-4-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-Bromo-2,5-difluoronitrobenzene167415-27-271 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-466 % similar 1-Fluoro-5-methyl-2,4-dinitrobenzene349-01-966 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-166 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-363 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-563 % similar 1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-561 % 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 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook