2-Chloroquinoxaline

C8H5ClN2CAS 1448-87-9164.59 g/mol

Open in Covalent MOL file
ClNN
Aryl halide

Properties

Molecular formula
C8H5ClN2
Molar mass
164.59 g/mol
Exact mass
164.0141 Da
Melting point
46–47 °C
Boiling point
80 °C (at 0.5 Torr)
logP
2.28Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1448-87-9
SMILES
Clc1cnc2ccccc2n1
InChIKey
BYHVGQHIAFURIL-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H

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

Names and synonyms

2 names
  • Quinoxaline, 2-chloro-
  • NSC 43553

Work with 2-Chloroquinoxaline

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

2,6-Dichloroquinoxaline18671-97-159 % similar 6-Bromo-2-chloroquinoxaline55687-02-055 % similar 7-Bromo-2-chloroquinoxaline89891-65-655 % similar 2-Bromoquinoxaline36856-91-450 % similar 5-Chloro-2,3-diphenylpyrazine41270-66-050 % similar 2-Chloroquinoline612-62-450 % similar 2-Methylquinoxaline7251-61-850 % similar 2-Chloro-5H-pyrrolo[2,3-B]pyrazine889447-19-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-quinazoline5190-68-1 6-Chloroquinoxaline5448-43-1 2-Chloroquinazoline6141-13-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook