2-Bromo-4-fluoro-6-nitroaniline

C₆H₄BrFN₂O₂CAS 10472-88-5235.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄BrFN₂O₂
Molar mass: 235.01 g/mol
Exact mass: 233.9440 Da
logP: 2.08Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10472-88-5

SMILES

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

InChIKey

HCYDUPDSEDHSQB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2

Weigh it out

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

Work with 2-Bromo-4-fluoro-6-nitroaniline

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

2-Bromo-4,6-dinitroaniline1817-73-869 % similar 2,4-Dibromo-6-nitroaniline827-23-669 % similar 2,4-Difluoro-6-nitrobenzenamine364-30-766 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-765 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-865 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-164 % similar 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-562 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-6

Elsewhere

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