3-Chloro-1,2-benzisothiazole
Properties
- Molecular formula
- C7H4ClNS
- Molar mass
- 169.63 g/mol
- Exact mass
- 168.9753 Da
- Melting point
- 40 °C
- Boiling point
- 122 °C (at 10 Torr)
- logP
- 2.95Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 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
7716-66-7SMILES
Clc1nsc2ccccc12InChIKey
BCPVKLRBQLRWDQ-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1,2-Benzisothiazole, 3-chloro-
- 3-Chlorobenzo[d]isothiazole
- 3-Chloro-1,2-benzothiazole
Work with 3-Chloro-1,2-benzisothiazole
Similar compounds
Benzisothiazolinone2634-33-552 % similar
1,4-Dichlorophthalazine4752-10-746 % similar
3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-041 % similar
Dibenzothiophene132-65-038 % similar
3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-638 % similar
3-Chloroindazole29110-74-538 % similar
2,4-Dichloroquinazoline607-68-138 % similar
3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride87691-88-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds