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| CAS No.: | 455-16-3 |
|---|---|
| Name: | P-TOLUENESULFONYL FLUORIDE |
| Article Data: | 75 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7 F O2 S |
| Molecular Weight: | 174.196 |
| Synonyms: | p-Toluenesulfonylfluoride (6CI,7CI,8CI); 4-Methylbenzenesulfonyl fluoride;4-Methylphenylsulfonyl fluoride; 4-Tolylsulfonyl fluoride; NSC 2749;Toluene-4-sulfonyl fluoride; Tosyl fluoride; p-Methylbenzenesulfonyl fluoride;p-Methylphenylsulfonyl fluoride |
| Density: | 1.276g/cm3 |
| Melting Point: |
41-42 °C(lit.) |
| Boiling Point: |
112 °C16 mm Hg(lit.) |
| Flash Point: | 87.2°C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | White to beige fused mass |
| Hazard Symbols: |
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| Risk Codes: | 20/21/22-34 |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. A corrosive. Combustible. When heated to decomposition it emits very toxic fumes of F− and SOx. See also FLUORIDES. |
| PSA: | 42.52000 |
| LogP: | 2.73400 |
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Chemistry
Product Name: 4-Toluenesulfonyl fluoride (CAS NO.455-16-3)
Molecular Formula: C7H7FO2S
Molecular Weight: 174.19g/mol
Mol File: 455-16-3.mol
Einecs: 207-238-6
Appearance: White to beige fused mass
Melting Point: 41-42 °C(lit.)
Boiling point: 233 °C at 760 mmHg
Flash Point: 87.2 °C
Density: 1.276 g/cm3
Sensitive: Moisture Sensitive
Surface Tension: 34.5 dyne/cm
Enthalpy of Vaporization: 45.06 kJ/mol
Vapour Pressure: 0.0873 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of 4-Toluenesulfonyl fluoride (CAS NO.455-16-3):
IUPAC Name: 4-methylbenzenesulfonyl fluoride
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)F
InChI: InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKey: IZZYABADQVQHLC-UHFFFAOYSA-N
Product Categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Nature. Vol. 173, Pg. 33, 1954. | |
| rat | LDLo | oral | 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 1, 1953. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. A corrosive. Combustible. When heated to decomposition it emits very toxic fumes of F− and SOx. See also FLUORIDES.
Safety Information of 4-Toluenesulfonyl fluoride (CAS NO.455-16-3):
Hazard Codes: C
Risk Statements: 20/21/22-34
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
34: Causes burns
Safety Statements: 22-26-27-36/37/39-45
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
4-Toluenesulfonyl fluoride ,its CAS NO. is 455-16-3,the synonyms is Benzenesulfonyl fluoride, 4-methyl- ; 4-11-00-00375 (Beilstein Handbook Reference) ; 4-Methylbenzenesulfonyl fluoride ; BRN 2208423 ; EINECS 207-238-6 ; NSC 2749 ; Phenylmethylsulfonyl fluoride ; Toluene-4-sulfonyl fluoride ; Toluene-p-sulphonyl fluoride ; Tosyl fluoride ; p-Methylbenzenesulfonyl fluoride ; p-Toluenesulfonyl fluoride .