CAS 148193-30-0 1,2-Benzisothiazol-5-amine, 3-chloro- (HCID 198766)

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Basic information

CAS: 148193-30-0
Standard SMILES: Nc1ccc2snc(Cl)c2c1
InChIKey: RDJGOLRFSSFEDL-UHFFFAOYSA-N
Molecular formula: C7H5ClN2S
Average molar mass: 184.65 g/mol
Monoisotopic mass: 183.98619684

Names & identifiers

Preferred name: 1,2-Benzisothiazol-5-amine, 3-chloro-
IUPAC: 3-chloro-1,2-benzothiazol-5-amine
English name: 5-amino-3-chloro-1,2-benzisothiazole
Molecular formula: C7H5ClN2S
Molecular weight: 184.65

Names & synonyms

3-chloro-1,2-benzothiazol-5-amine1,2-Benzisothiazol-5-amine, 3-chloro-148193-30-0CCRIS 63583-Chloro-1,2-benzisothiazol-5-amineDTXSID20163929RefChem:411283DTXCID0086420964-571-63-chlorobenzo[d]isothiazol-5-amineSCHEMBL2973155RDJGOLRFSSFEDL-UHFFFAOYSA-N

Show more names

1,2-BENZISOTHIAZOL-5-AMINE,3-CHLORO-

5-Amino-3-chloro-1,2-benzisothiazole

Database identifiers

CAS: 148193-30-0
PubChem CID: 198766
DTXSID: DTXSID20163929
EC Number: 964-571-6
Nikkaji: J414.048F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Boiling point: 256.7 · 256.7±22.0 °C(Predicted)
Density: 1.532 · 1.532±0.06 g/cm3(Predicted)
pka: 2.27 · 2.27±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.