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| CAS No.: | 368-43-4 |
|---|---|
| Name: | BENZENESULFONYL FLUORIDE |
| Article Data: | 67 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5 F O2 S |
| Molecular Weight: | 160.169 |
| Synonyms: | NSC 8543;Phenylsulfonyl fluoride |
| EINECS: | 206-707-2 |
| Density: | 1.333 g/mL at 25 °C(lit.) |
| Boiling Point: | 207-208 °C(lit.) |
| Flash Point: | 189 °F |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 20/21/22-34 |
| Safety: | A poison by intraperitoneal route. Slightly irritating to skin. Flammable when exposed to heat or flame. It can react vigorously with oxidizing materials. To fight fire, use water, foam, CO2, water spray or mist, dry chemical. When heated to decomposition it emits toxic fumes of F− and SOx. See also FLUORIDES and SULFATES. |
| Transport Information: | UN 3265 8 |
| PSA: | 42.52000 |
| LogP: | 2.42560 |
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Chemistry
Molecule structure of Benzenesulphonyl fluoride (CAS NO.368-43-4):
IUPAC Name: Benzenesulfonyl fluoride
Molecular Weight: 160.166103 g/mol
Molecular Formula: C6H5FO2S
Density: 1.333 g/cm3
Boiling Point: 203.5 °C at 760 mmHg
Flash Point: 76.9 °C
Index of Refraction: 1.505
Molar Refractivity: 35.68 cm3
Molar Volume: 120.1 cm3
Polarizability: 14.14×10-24 cm3
Surface Tension: 35 dyne/cm
Enthalpy of Vaporization: 42.18 kJ/mol
Vapour Pressure: 0.395 mmHg at 25 °C
Sensitive: moisture sensitive
XLogP3: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 159.999428
MonoIsotopic Mass: 159.999428
Topological Polar Surface Area: 34.1
Heavy Atom Count: 10
Complexity: 186
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)F
InChI: InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKey: IDIPWEYIBKUDNY-UHFFFAOYSA-N
EINECS: 206-707-2
Product Categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds
Toxicity Data With Reference
| 1. | ipr-rat LD50:100 mg/kg | NATUAS Nature. 173 (1954),33. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
C
Risk Statements: 20/21/22-34
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R34:Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
RTECS: DB8940000
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8
PackingGroup: III
A poison by intraperitoneal route. Slightly irritating to skin. Flammable when exposed to heat or flame. It can react vigorously with oxidizing materials. To fight fire, use water, foam, CO2, water spray or mist, dry chemical. When heated to decomposition it emits toxic fumes of F− and SOx. See also FLUORIDES and SULFATES.
Specification
Benzenesulphonyl fluoride (CAS NO.368-43-4) is also named as 4-11-00-00049 (Beilstein Handbook Reference) ; BRN 2206835 ; Benzenesulfonyl fluoride ; Benzenesulphonyl fluoride ; NSC 8543 ; Phenylsulfonyl fluoride . Benzenesulphonyl fluoride (CAS NO.368-43-4) is clear light yellow liquid. It is highly toxic. It is flammable by fire and heat. It will produce toxic sulfur oxides. Benzenesulphonyl fluoride (CAS NO.368-43-4) separate from raw materials of food and oxidant.