Cyclohexanesulfonamide

HCID 75536

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Basic information

CAS: 2438-38-2
Standard SMILES: NS(=O)(=O)C1CCCCC1
InChIKey: AAYHAFZXFMIUSN-UHFFFAOYSA-N
Molecular formula: C6H13NO2S
Average molar mass: 163.24 g/mol
Monoisotopic mass: 163.06669966

Names & identifiers

Preferred name: Cyclohexanesulfonamide
IUPAC: cyclohexanesulfonamide
English name: Cyclohexanesulfonamide(7CI,8CI,9CI)
Molecular formula: C6H13NO2S
Molecular weight: 163.24

Names & synonyms

Cyclohexanesulfonamide2438-38-2ZyklohexansulfamidNSC 516369Zyklohexansulfamid [German]NSC 516377BRN 2716566WD8D32G5P9NSC-516369NSC-516377DTXSID801791273-11-00-00027 (Beilstein Handbook Reference)

Show more names

Cyclohexanesulfonamid

RefChem:129607DTXCID10101618842-268-9MFCD01734812Cyclohexanesulfonamide(7CI,8CI,9CI)WLN: L6TJ ASZWcyclohexylsulfonamideCyclohexyl Sulfonamide

Database identifiers

CAS: 2438-38-2
PubChem CID: 75536
DTXSID: DTXSID80179127
UNII: WD8D32G5P9
EC Number: 842-268-9
Nikkaji: J48.537C

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 94 · 94-95℃
Boiling point: 299.8 · 299.8±23.0 °C(Predicted)
Density: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.58 · 10.58±0.20(Predicted)
EWG's Food Scores: 1 · 1
FDA UNII: 8 D32G5P9 · WD8D32G5P9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
Toxicity: 50 oral · LD50 oral in rat: 80mg/kg

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.