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Basic information

  • Name:
  • N-Fluorobenzenesulfonimide

  • CAS No.:
  • 133745-75-2

  • Molecular Structure:
  • Formula:
  • C12H10FNO4S2
  • Molecular Weight:
  • 315.34
  • Synonyms:
  • N-(benzenesulfonyl)-N-fluoro-benzenesulfonamide;N-Fluorobenzenesulfoniminde;N-Fluoro Dibenzenesulfonic amide;N-Fluorodibenzenesulfonimide (NFSI);N-Fluorodi(benzenesulfonyl)amine;
  • Density:
  • 1.476 g/cm3
  • Melting Point:
  • 114-116 °C
  • Boiling Point:
  • 471.4 °C at 760 mmHg
  • Flash Point:
  • 238.9 °C
  • Appearance:
  • Off-white to light brown crystalline
  • Hazard Symbols:
  • IrritantXi,OxidizingO
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-37/39 Details

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Chemistry

Product Name: N-Fluorobenzenesulfonimide (CAS NO.133745-75-2)

Molecular Formula: C12H10FNO4S2
Molecular Weight: 315.34g/mol
Mol File: 133745-75-2.mol
Appearance: Off-white to light brown crystalline powder
Melting Point: 114-116 °C
Boiling point: 471.4 °C at 760 mmHg
Flash Point: 238.9 °C
Density: 1.476 g/cm3
Index of Refraction: 1.6 
Molar Refractivity: 73.1 cm3 
Molar Volume: 213.5 cm3 
Surface Tension: 51.5 dyne/cm
Enthalpy of Vaporization: 73.42 kJ/mol
Vapour Pressure: 4.67E-09 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of N-Fluorobenzenesulfonimide (CAS NO.133745-75-2):
  IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
  InChI: InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H 
  InChIKey: RLKHFSNWQCZBDC-UHFFFAOYSA-N
Product Categories: Electrophilic Fluorinating Reagents; Fluorinating Reagents; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Fluorination; Halogenation; Synthetic Organic Chemistry

Safety Profile

Safety Information of N-Fluorobenzenesulfonimide (CAS NO.133745-75-2):
Hazard Codes: XiIrritant,OOxidizing
Risk Statements: 36/37/38   
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 10
Hazard Note: Oxidising Agent
HazardClass: IRRITANT

Specification

 N-Fluorobenzenesulfonimide , its CAS NO. is 133745-75-2, the synonyms are N-Fluorobis(phenylsulfonyl)amine ; N-Fluorodi(benzenesulfonyl)amine ; N-Fluorodibenzenesulfonimide .

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