6-Bromo-2,3,4-trifluorobenzenamine

C₆H₃BrF₃NCAS 122375-82-0226.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₃BrF₃N
Molar mass: 226.00 g/mol
Exact mass: 224.9401 Da
logP: 2.45Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

122375-82-0

SMILES

Nc1c(Br)cc(F)c(F)c1F

InChIKey

AKJNEERVRJOBPD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3N/c7-2-1-3(8)4(9)5(10)6(2)11/h1H,11H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 6-bromo-2,3,4-trifluoro-
6-Bromo-2,3,4-trifluoroaniline
2-Bromo-4,5,6-trifluoroaniline

Work with 6-Bromo-2,3,4-trifluorobenzenamine

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-Bromo-2,3,4,5-tetrafluorobenzene1074-91-562 % similar 2,3,4,6-Tetrafluorobenzenamine363-73-562 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-454 % similar 2,4-Dibromo-6-fluoroaniline141474-37-553 % similar 2-Bromo-4,6-difluorobenzenamine444-14-453 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-853 % similar 3-Chloro-2,6-dibromo-4-fluoroaniline175135-09-852 % similar 2-Bromo-4-chloro-6-fluorobenzenamine195191-47-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-3,4,6-trifluoroaniline1481-21-6 2-Bromo-4-(trifluoromethyl)pyridine175205-81-9 2-Bromo-3-(trifluoromethyl)pyridine175205-82-0 2-Bromo-6-(trifluoromethyl)pyridine189278-27-1 5-Bromo-2-(trifluoromethyl)pyridine436799-32-5 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6 2-Bromo-5-(trifluoromethyl)pyridine50488-42-1 3-Bromo-4-(trifluoromethyl)pyridine936841-70-2

Elsewhere

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