Basic information
- CAS
22094-62-8- Standard SMILES
Nc1ccc2c(c1)S(=O)(=O)NC2=O- InChIKey
SSRKZHLPNHLAKM-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3S
- Average molar mass
- 198.2 g/mol
- Monoisotopic mass
- 198.00991305
Overview
impurity in saccharin produced by the Maumee process
Names & identifiers
- Preferred name
- 6-Aminosaccharin
- IUPAC
- 6-amino-1,1-dioxo-1,2-benzothiazol-3-one
- English name
- 6-aminosaccharin
- Molecular formula
- C7H6N2O3S
- Molecular weight
- 198.2
Names & synonyms
6-Aminosaccharin22094-62-81,2-Benzisothiazol-3(2H)-one, 6-amino-, 1,1-dioxide8X8M8255WFDTXSID30176601RefChem:104217DTXCID30990926-amino-1,1-dioxo-1,2-benzothiazol-3-one6-Aminobenzo[d]isothiazol-3(2H)-one 1,1-dioxideMFCD001155066-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxideCHEMBL2016952
Show more names
6-aminosaccharin USP/EP/BP
6-amino-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione6-amino-saccharin4cq06-AMINO-2,3-DIHYDRO-1$L^{6},2-BENZOTHIAZOLE-1,1,3-TRIONESACCHARIN, 6-AMINO-UNII-8X8M8255WF6-amino-2,3-dihydro-1lambdaSCHEMBL1290860
Database identifiers
- CAS
22094-62-8- PubChem CID
- 64789
- DTXSID
DTXSID30176601- ChEMBL
CHEMBL2016952- UNII
- 8X8M8255WF
- EC Number
- 853-564-2
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 278 °C · 278 °C
- Density
- 1.652 · 1.652±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.92 · 1.92±0.30(Predicted)
- Appearance
- Light brown to brown Solid
- FDA UNII
- 8 X8M8255WF · 8X8M8255WF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海众泽川医药科技有限公司25888888 15021253307 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Nanjing Doge Biomedical Technology Co., Ltd+86-25-58227606 +86-15305155328 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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