2H-Naphth(1,8-cd)isothiazole 1,1-dioxide

HCID 69052

Notes Reactions

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Basic information

CAS: 603-72-5
Standard SMILES: O=S1(=O)Nc2cccc3cccc1c23
InChIKey: HOBYPSNNFBRLIX-UHFFFAOYSA-N
Molecular formula: C10H7NO2S
Average molar mass: 205.23 g/mol
Monoisotopic mass: 205.01974946

Names & identifiers

Preferred name: 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide
IUPAC: 2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
English name: 1,8-Naphthosultam
Molecular formula: C10H7NO2S
Molecular weight: 205.23

Names & synonyms

603-72-52H-Naphth(1,8-cd)isothiazole 1,1-dioxideEINECS 210-055-42H-naphth[1,8-cd]isothiazole 1,1-dioxide2H-Naphth[1,8-cd]isothiazole, 1,1-dioxideDTXSID902090602H-Naphth(1,8-cd)isothiazole, 1,1-dioxideRefChem:484296DTXCID10131551210-055-41,8-Naphthosultam2H-naphtho[1,8-cd]isothiazole 1,1-dioxide

Show more names

1,8-Naphthasultam1,8-Naphthosultam,98%8-Aminonaphthalene-1-sulfonic acid sultam1,2-Napthaquinone-4-SulphonicacidSodiumSalt

1,8-NaphthalenesultamMFCD000097462lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide1,8-Naphthosultam, 97%Oprea1_484801SCHEMBL812924SCHEMBL1386367SCHEMBL30442903

Database identifiers

CAS: 603-72-5
PubChem CID: 69052
DTXSID: DTXSID90209060
UNII: 8BF86K8228
EC Number: 210-055-4
Nikkaji: J95.551E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 333

Physicochemical properties

Melting point: 173 · 173-175 °C(lit.)
Boiling point: 442.2 · 442.2±28.0 °C(Predicted)
Density: 1.3178 · 1.3178 (rough estimate)
refractive index: 1.525 · 1.5250 (estimate)
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.