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Basic information
- CAS
936-16-3- Standard SMILES
O=S1(=O)NCc2ccccc21- InChIKey
GVYVHZKTSVDMNT-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.01974964
Names & identifiers
- Preferred name
- 1,2-Benzoisothiazoline 1,1-dioxide
- IUPAC
- 2,3-dihydro-1,2-benzothiazole 1,1-dioxide
- English name
- 2,3-Dihydro-1,1-dioxo-1,2-benzisothiazole
- Molecular formula
- C7H7NO2S
- Molecular weight
- 169.2
Names & synonyms
936-16-31,2-Benzisothiazole, 2,3-dihydro-, 1,1-dioxide1,2-Bitdo1,2-Benzoisothiazoline 1,1-dioxideZLO53QJF59DTXSID80239477RefChem:411291DTXCID001619682,3-Dihydrobenzo[d]isothiazole 1,1-dioxide2,3-Dihydro-1,1-dioxo-1,2-benzisothiazole2,3-dihydro-1,2-benzothiazole 1,1-dioxideMFCD03426201
Show more names
2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
1,2-benzisothiazoline 1,1-dioxide2,3-dihydro-1lambda6,2-benzothiazole-1,1-dioneNSC-3628152,3-Dihydrobenzo[d]isothiazole1,1-dioxideUNII-ZLO53QJF59NSC362815NSC 362815A1CDM
Database identifiers
- CAS
936-16-3- PubChem CID
- 13638
- DTXSID
DTXSID80239477- ChEMBL
CHEMBL81566- UNII
- ZLO53QJF59
- EC Number
- 840-640-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 105 · 105-107 °C(Solv: water (7732-18-5))
- Boiling point
- 325.8 · 325.8±45.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.21 · 11.21±0.20(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 53 QJF59 · ZLO53QJF59
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
1 records
Compound notes
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