4-Amino-3-bromo-5-nitrobenzotrifluoride

C₇H₄BrF₃N₂O₂CAS 113170-71-1285.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₄BrF₃N₂O₂
Molar mass: 285.02 g/mol
Exact mass: 283.9408 Da
logP: 2.96Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

113170-71-1

SMILES

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

InChIKey

ZUZMWPRSGJTLHW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2

Weigh it out

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

Work with 4-Amino-3-bromo-5-nitrobenzotrifluoride

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-Amino-3,5-dinitrobenzotrifluoride445-66-977 % similar 4-Amino-3-chloro-5-nitrobenzotrifluoride57729-79-066 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-564 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-163 % similar 2-Bromo-4,6-dinitroaniline1817-73-862 % similar 2,4-Dibromo-6-nitroaniline827-23-662 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-460 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-nitro-6-(trifluoromethyl)aniline157026-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook