2-Chloro-5-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 52334-81-3181.54 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
Melting point: 33 °C
Boiling point: 153 °C
logP: 2.75Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled21.8% of notifiers
H302 Harmful if swallowed67.7% of notifiers
H315 Causes skin irritation36.8% of notifiers
H319 Causes serious eye irritation36.8% of notifiers
H332 Harmful if inhaled66.9% of notifiers
H335 May cause respiratory irritation35.3% of notifiers
H370 Causes damage to organs63.2% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure63.2% of notifiers

Aggregated from 133 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52334-81-3

SMILES

FC(F)(F)c1ccc(Cl)nc1

InChIKey

JFZJMSDDOOAOIV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

Weigh it out

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

Names and synonyms

2 names

Pyridine, 2-chloro-5-(trifluoromethyl)-
5-Trifluoromethyl-2-chloropyridine

Work with 2-Chloro-5-(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

2-Chloro-5-trichloromethylpyridine69045-78-961 % similar 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-561 % similar 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-456 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-453 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-153 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-653 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-550 % similar 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-250 % 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-3-(trifluoromethyl)pyridine65753-47-1 2-Chloro-4-(trifluoromethyl)pyridine81565-18-6 3-Chloro-4-(trifluoromethyl)pyridine81565-19-7 3-Chloro-5-(trifluoromethyl)pyridine85148-26-1

Elsewhere

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