3-Chloro-4-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 81565-19-7181.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃ClF₃N
Molar mass: 181.54 g/mol
Exact mass: 180.9906 Da
Density: 1.407 g/mL (at 20 °C)
Melting point: −23–20 °C
Boiling point: 142–144 °C
logP: 2.75Crippen 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

81565-19-7

SMILES

FC(F)(F)c1ccncc1Cl

InChIKey

YNYROPYZSZBORI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/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 and density.

Names and synonyms

1 names

Pyridine, 3-chloro-4-(trifluoromethyl)-

Work with 3-Chloro-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-Chloro-3-(trifluoromethyl)pyridine hydrochloride732306-24-065 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-957 % similar 3-Amino-4-(trifluoromethyl)pyridine175204-80-555 % similar 3-Bromo-4-(trifluoromethyl)pyridine936841-70-255 % similar 3,4-Dichloropyridine55934-00-452 % similar 2-Chlorobenzotrifluoride88-16-452 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 2,4-Dichlorobenzotrifluoride320-60-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Trifluoromethyl-4-chloropyridine131748-14-6 2-Chloro-6-(trifluoromethyl)pyridine39890-95-4 2-Chloro-5-(trifluoromethyl)pyridine52334-81-3 2-Chloro-3-(trifluoromethyl)pyridine65753-47-1 2-Chloro-4-(trifluoromethyl)pyridine81565-18-6 3-Chloro-5-(trifluoromethyl)pyridine85148-26-1

Elsewhere

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