4-Chloro-quinazoline

C₈H₅ClN₂CAS 5190-68-1164.59 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 swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5190-68-1

SMILES

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

InChIKey

GVRRXASZZAKBMN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Chloroquinazoline

Work with 4-Chloro-quinazoline

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

4-Chloropyrido[2,3-D]pyrimidine28732-79-853 % similar 4-Chloropyrido(3,2-d)pyrimidine51674-77-253 % similar 6-Bromo-4-chloro-quinazoline38267-96-853 % similar 7-Bromo-4-chloroquinazoline573675-55-553 % similar 4-Chloro-6-iodoquinazoline98556-31-153 % similar 4-Chloroquinazoline-6-carbonitrile150449-97-153 % similar Quinazolinone491-36-152 % similar 2,4-Dichloroquinazoline607-68-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroquinoxaline1448-87-9 6-Chloroquinoxaline5448-43-1 2-Chloroquinazoline6141-13-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook