Pseudosaccharin chloride

HCID 64783

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Basic information

CAS: 567-19-1
Standard SMILES: O=S1(=O)N=C(Cl)c2ccccc21
InChIKey: VBEJRJPHNPIURV-UHFFFAOYSA-N
Molecular formula: C7H4ClNO2S
Average molar mass: 201.63 g/mol
Monoisotopic mass: 200.96512705

Names & identifiers

Preferred name: Pseudosaccharin chloride
IUPAC: 3-chloro-1,2-benzothiazole 1,1-dioxide
English name: 3-Chloro-benzo[d]isothiazole 1,1-dioxide
Molecular formula: C7H4ClNO2S
Molecular weight: 201.63

Names & synonyms

567-19-1Pseudosaccharin chloride3-Chloro-psi-saccharin3-Chloro-1,2-benzisothiazole 1,1-dioxide3-Chlorobenzo[d]isothiazole 1,1-dioxide1,2-Benzisothiazole, 3-chloro-, 1,1-dioxide3-chloro-1lambda6,2-benzothiazole-1,1-dione3-Chlorobenzo(d)isothiazole 1,1-dioxideUNII-1AYD6UVV3F1AYD6UVV3Fsaccharin chloride3-chlorobenzisothiazole 1,1-dioxide

Show more names

3-Chlorobenzoisothiazole 1,1-Dioxide3-Chloro-1,2-benzothiazole-1,1-dione3-chloro-1,2-benzothiazole 1,1-dioxide3-CHLORO-BENZO[D]ISOTHIAZOLE 1,1-DIOXIDE3-chloro-1，2.benziso thiazole-1，1-dioxide7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide

NSC 49757NSC-49757PSEUDOSACCHARYL CHLORIDESACCHARIN PSEUDOCHLORIDE3-CHLORO-PSEUDO-SACCHARINDTXSID00205255.GAMMA.-SACCHARIN CHLORIDE3-CHLORO-1H-BENZO(D)ISOTHIAZOLE-1,1-DIONE

Database identifiers

CAS: 567-19-1
PubChem CID: 64783
DTXSID: DTXSID00205255
UNII: 1AYD6UVV3F
EC Number: 817-743-9

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 317

Physicochemical properties

Melting point: 145 · 145-147 °C
Boiling point: 377.1 · 377.1±25.0 °C(Predicted)
Density: 1 · 1+-.0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -7.4 · -7.40±0.20(Predicted)
Appearance: White to off-white Solid
FDA UNII: 1 AYD6UVV3F · 1AYD6UVV3F
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H318
Precautionary statements: P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501