2-Chloro-5-trichloromethylpyridine

C₆H₃Cl₄NCAS 69045-78-9230.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃Cl₄N
Molar mass: 230.90 g/mol
Exact mass: 228.9020 Da
Melting point: −18.14 °C
logP: 3.56Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

69045-78-9

SMILES

Clc1ccc(C(Cl)(Cl)Cl)cn1

InChIKey

VLJIVLGVKMTBOD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl4N/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-(trichloromethyl)-
2-Chloro-5-(trichloromethyl)pyridine

Work with 2-Chloro-5-trichloromethylpyridine

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

2-Chloro-5-(trifluoromethyl)pyridine52334-81-361 % similar 2,5-Dichloropyridine16110-09-148 % similar 1,4-Bis(trichloromethyl)benzene68-36-048 % similar 2-Chloro-5-methylpyridine18368-64-445 % similar 2-Chloro-5-fluoropyridine31301-51-645 % similar 2-Chloro-5-hydroxypyridine41288-96-445 % similar 5-Amino-2-chloropyridine5350-93-645 % similar 5-Bromo-2-chloropyridine53939-30-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nitrapyrin1929-82-4 2,3,5,6-Tetrachloroaniline3481-20-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook