Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
m-Fluorosulfonylbenzenesulfonyl chloride |
EINECS | N/A |
CAS No. | 2489-52-3 | Density | 1.649g/cm3 |
PSA | 85.04000 | LogP | 3.43390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4 Cl F O4 S2 | Boiling Point | 326.5°Cat760mmHg |
Molecular Weight | 258.679 | Flash Point | 151.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, SOx, F−, and Cl−. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Benzenedisulfonylchloride fluoride (7CI,8CI); 3-(Fluorosulfonyl)benzenesulfonyl chloride; NSC310025; m-(Fluorosulfonyl)benzenesulfonyl chloride |
Article Data | 2 |
Molecule structure of m-Fluorosulfonylbenzenesulfonyl chloride (CAS NO.2489-52-3):
IUPAC Name: 3-Chlorosulfonylbenzenesulfonyl fluoride
Molecular Weight: 258.674963 g/mol
Molecular Formula: C6H4ClFO4S2
Density: 1.649 g/cm3
Boiling Point: 326.5 °C at 760 mmHg
Flash Point: 151.3 °C
Index of Refraction: 1.541
Molar Refractivity: 49.33 cm3
Molar Volume: 156.8 cm3
Polarizability: 19.55×10-24 cm3
Surface Tension: 46.3 dyne/cm
Enthalpy of Vaporization: 54.61 kJ/mol
Vapour Pressure: 0.000408 mmHg at 25 °C
XLogP3: 2.1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 257.922356
MonoIsotopic Mass: 257.922356
Topological Polar Surface Area: 68.3
Heavy Atom Count: 14
Complexity: 391
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)F
InChI: InChI=1S/C6H4ClFO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChIKey: ZPGHDPUCQANFAD-UHFFFAOYSA-N
EINECS of m-Fluorosulfonylbenzenesulfonyl chloride (CAS NO.2489-52-3): 219-643-5
1. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04699 . |
Reported in EPA TSCA Inventory.
RIDADR: 3265
HazardClass: 8
PackingGroup: III
Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, SOx, F−, and Cl−.
m-Fluorosulfonylbenzenesulfonyl chloride (CAS NO.2489-52-3) is also named as BRN 2378859 ; Benzene-1,3-disulfonyl chloride fluoride ; Benzenesulfonyl chloride, m-(fluorosulfonyl)- ; Benzenesulfonyl fluoride, 3-(chlorosulfonyl)- ; NSC 310025 ; m-Benzenedisulfonyl chloride fluoride ; m-Fluorosulfonylbenzenesulfonyl chloride ; 3-Fluorosulphonylbenzenesulphonyl chloride .