6-Chloropseudosaccharyl chloride
Basic information
- CAS
15864-53-6- Standard SMILES
O=S1(=O)N=C(Cl)c2ccc(Cl)cc21- InChIKey
VJJUJEMEUPXOOB-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO2S
- Average molar mass
- 236.07 g/mol
- Monoisotopic mass
- 234.9261549
Names & identifiers
- Preferred name
- 6-Chloropseudosaccharyl chloride
- IUPAC
- 3,6-dichloro-1,2-benzothiazole 1,1-dioxide
Names & synonyms
15864-53-66-Chloropseudosaccharyl chloride3,6-Dichloro-1,2-benzisothiazole 1,1-dioxide1,2-Benzisothiazole, 3,6-dichloro-, 1,1-dioxideUNII-20687P4XQ320687P4XQ3DTXSID201664903,6-DICHLORO-PSEUDO-SACCHARINRefChem:104450DTXCID80889813,6-dichloro-1,2-benzothiazole 1,1-dioxide3,6-dichloro-1lambda6,2-benzothiazole-1,1-dione
Show more names
3,6-Dichlorobenzo[d]isothiazole 1,1-dioxideSCHEMBL109080113,6-Dichlorobenzo[d]isothiazole1,1-dioxideEN300-2093193,6-dichloro-1|E?,2-benzothiazole-1,1-dione3,6-dichloro-1$l^{6},2-benzothiazole-1,1-dioneQ272534373,6-Dichloro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Database identifiers
- CAS
15864-53-6- PubChem CID
- 167485
- DTXSID
DTXSID20166490- UNII
- 20687P4XQ3
- EC Number
- 810-648-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 346
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 3 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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