3-Bromo-4-(trifluoromethyl)pyridine

C₆H₃BrF₃NCAS 936841-70-2226.00 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
logP: 2.86Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 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 the 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

936841-70-2

SMILES

C1=CN=CC(=C1C(F)(F)F)Br

InChIKey

OPNNLECPNPMTMV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-4-trifluoromethylpyridine

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-957 % similar 3-Amino-4-(trifluoromethyl)pyridine175204-80-555 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-755 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-654 % similar 3,4-Dibromopyridine13534-90-252 % similar 3-Bromo-4-fluoropyridine116922-60-250 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 2,5-Bis(trifluoromethyl)bromobenzene7617-93-847 % 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-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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook