Naphthalenesulfonamide

HCID 163571

Notes Reactions

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Basic information

CAS: 606-25-7
Standard SMILES: NS(=O)(=O)c1cccc2ccccc12
InChIKey: ZFIFHAKCBWOSRN-UHFFFAOYSA-N
Molecular formula: C10H9NO2S
Average molar mass: 207.25 g/mol
Monoisotopic mass: 207.03539953

Names & identifiers

Preferred name: Naphthalenesulfonamide
IUPAC: naphthalene-1-sulfonamide
English name: naphthalene-1-sulfonamide(WXC08815)
Molecular formula: C10H9NO2S
Molecular weight: 207.25

Names & synonyms

Naphthalenesulfonamide89456-57-5DTXSID50237723RefChem:831861DTXCID00160214naphthalene-1-sulfonamide606-25-71-NaphthalenesulfonamideMFCD00985933CHEMBL66482L9V2DQ59Aalpha-Naphthalenesulfonamide

Show more names

1-naphthalenesulfonylamidenaphthalene-1-sulfonamide(WXC08815)

1-naphtylsulfonamide2-naphthylsulfonamide1-napthalene sulfonamide1-naphthalene sulfonamideI+/--NaphthalinsulfonamidUNII-2L9V2DQ59AOprea1_587765SCHEMBL28463

Database identifiers

CAS: 606-25-7、89456-57-5
PubChem CID: 163571
DTXSID: DTXSID50237723
ChEMBL: CHEMBL6648
UNII: 2L9V2DQ59A
EC Number: 853-142-8
Nikkaji: J94.936A

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 294

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

LogP1.55

Physicochemical properties

Melting point: 150.5 °C · 150.5 °C
Boiling point: 423.8 · 423.8±28.0 °C(Predicted)
Density: 1.359 · 1.359±0.06 g/cm3(Predicted)
pka: 10.08 · 10.08±0.30(Predicted)
FDA UNII: 2 L9V2DQ59A · 2L9V2DQ59A
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

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
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313