2-Chloroquinazoline

C₈H₅ClN₂CAS 6141-13-5164.59 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₅ClN₂
Molar mass: 164.59 g/mol
Exact mass: 164.0141 Da
logP: 2.28Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% 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, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6141-13-5

SMILES

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

InChIKey

WMPTYRGXBUYONY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H

Weigh it out

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

Work with 2-Chloroquinazoline

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

6-Bromo-2-chloroquinazoline882672-05-153 % similar 7-Bromo-2-chloroquinazoline953039-66-253 % similar 8-Bromo-2-chloroquinazoline956100-63-352 % similar 2-Chloroquinoline612-62-448 % similar Acridine260-94-646 % similar 3-Chloroquinoline612-59-945 % similar 3-Chloroisoquinoline19493-45-945 % similar Phenanthridine229-87-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroquinoxaline1448-87-9 4-Chloro-quinazoline5190-68-1 6-Chloroquinoxaline5448-43-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook