2-Chloro-3-(chloromethyl)quinoline

C₁₀H₇Cl₂NCAS 90097-52-2212.07 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₇Cl₂N
Molar mass: 212.07 g/mol
Exact mass: 210.9956 Da
logP: 3.63Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

90097-52-2

SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CCl

InChIKey

UOIJHUIOTFDGNA-UHFFFAOYSA-N

InChI

InChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2

Weigh it out

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

Work with 2-Chloro-3-(chloromethyl)quinoline

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-3-methylquinoline57876-69-454 % similar 2-Chloroquinoline-3-boronic acid128676-84-650 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-950 % similar 2,3-Dichloroquinoxaline2213-63-047 % similar Acridine260-94-647 % similar 3-Benzyl-6-bromo-2-chloroquinoline654655-68-247 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-746 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook