Basic information
- Standard SMILES
Clc1nc2ccccc2s1- InChIKey
BSQLQMLFTHJVKS-UHFFFAOYSA-N- Molecular formula
- C7H4ClNS
- Average molar mass
- 169.63 g/mol
Names & identifiers
- Preferred name
- 2-Chlorobenzothiazole
- IUPAC
- 2-chloro-1,3-benzothiazole
- English name
- Chlorobenzothiazole
- Molecular weight
- 0
Names & synonyms
Show more names
Database identifiers
- CAS
72403-12-4- ChEMBL
CHEMBL4559874- UNII
- FN1T1Y0P5P
- EC Number
- 210-415-0
- Nikkaji
- J41.959A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (83.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzothiazole, 2-chloro-
Status: Cease Manufacture Update: 25-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10968
Benzothiazole, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
Related reactions
No reaction records under the current filter.
Linked notes
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