2-Bromo-4-(trifluoromethyl)pyridine

C₆H₃BrF₃NCAS 175205-81-9226.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃BrF₃N
Molar mass: 226.00 g/mol
Exact mass: 224.9401 Da
Melting point: −21–20 °C
Boiling point: 161–162 °C
logP: 2.86Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed87.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

175205-81-9

SMILES

FC(F)(F)c1ccnc(Br)c1

InChIKey

WZVHLUMAQLUNTJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H

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

Names and synonyms

3 names

Pyridine, 2-bromo-4-(trifluoromethyl)-
2-Bromo-4-trifluoromethylpyridine
4-Trifluoromethyl-2-bromopyridine

Work with 2-Bromo-4-(trifluoromethyl)pyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-061 % similar 2-Bromo-4-tert-butylpyridine50488-34-160 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-357 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-655 % similar 2-Hydroxy-4-(trifluoromethyl)pyridine50650-59-455 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 2-Bromo-4-fluoropyridine357927-50-550 % similar 2,4-Dibromopyridine58530-53-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2,3,4-trifluorobenzenamine122375-82-0 2-Bromo-3,4,6-trifluoroaniline1481-21-6 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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