Basic information
- CAS
82-65-5- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc3c2c1NS3(=O)=O- InChIKey
SOEOLOYSOQPCII-UHFFFAOYSA-N- Molecular formula
- C10H7NO8S3
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 364.9333797
Names & identifiers
- Preferred name
- 2H-Naphth(1,8-cd)isothiazole-3,5-disulfonic acid, 1,1-dioxide
- IUPAC
- 2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-5,7-disulfonic acid
- English name
- 2H-naphth[1,8-cd]isothiazole-3,5-disulphonic acid 1,1-dioxide
- Molecular formula
- C10H7NO8S3
- Molecular weight
- 365.36
Names & synonyms
82-65-52H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxideEINECS 201-432-4DTXSID80588792H-Naphth(1,8-cd)isothiazole-3,5-disulfonic acid, 1,1-dioxideRefChem:90112DTXCID6048256MVK7P55AUB2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-5,7-disulfonic acidC10H7NO8S32H-Naphth[1,8-cd]isothiazole-3,5-disulfonicacid, 1,1-dioxideUNII-MVK7P55AUB
Show more names
2H-naphth[1,8-cd]isothiazole-3,5-disulphonic acid 1,1-dioxide
SOEOLOYSOQPCII-UHFFFAOYSA-N2H-Naphth(1,8-cd)isothiazole-3,5-disulphonic acid 1,1-dioxideMFCD00961070NS000382172H-Naphth(1,8-cd)isothiazole-3,5-disulphonic acid, 1,1-dioxide2H-Naphtho[1,8-cd]isothiazole-3,5-disulfonic acid 1,1-dioxide1,1-Dioxo-1,2-dihydro-1lambda~6~-naphtho[1,8-cd][1,2]thiazole-3,5-disulfonic acid
Database identifiers
- CAS
82-65-5
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 769
Physicochemical properties
- Density
- 1.995 · 1.995±0.06 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.20(Predicted)
- FDA UNII
- 7 P55AUB · MVK7P55AUB
- EPA Substance Registry System
- 2 H-Naphth[1,8-cd]isothiazole-3,5-disulfonic · 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide (82-65-5)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
- RIDADR
- 3261 · UN3261
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
- tsca
- TSCA listed
- ridadr
- UN3261
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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