2-Chloro-6-nitrobenzothiazole

C7H3ClN2O2SCAS 2407-11-6214.62 g/mol

Open in Covalent MOL file
ON+O−NClS
Aryl halideNitro

Properties

Molecular formula
C7H3ClN2O2S
Molar mass
214.62 g/mol
Exact mass
213.9604 Da
Melting point
192 °C
logP
2.86Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2407-11-6
SMILES
O=[N+]([O-])c1ccc2nc(Cl)sc2c1
InChIKey
KUCSJGBXJBQHNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzothiazole, 2-chloro-6-nitro-
  • 6-Nitro-2-chlorobenzothiazole
  • NSC 503418
  • 2-Chloro-6-nitro-1,3-benzothiazole

Work with 2-Chloro-6-nitrobenzothiazole

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-Nitro-2(3H)-benzothiazolethione4845-58-365 % similar 6-Nitrobenzothiazole2942-06-554 % similar 5-Nitro-1,3-benzothiazol-2-amine73458-39-653 % similar 2,6-Dichlorobenzothiazole3622-23-953 % similar 4-Chloro-6-nitroquinazoline19815-16-850 % similar 2-Chloro-6-methylbenzothiazole3507-26-450 % similar 2-Chloro-6-fluorobenzothiazole399-74-650 % similar 6-Bromo-2-chlorobenzothiazole80945-86-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-4-isothiocyanato-2-nitrobenzene127142-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook