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CAS No.: | 7079-48-3 |
---|---|
Name: | 4-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H6 Cl F O2 S |
Molecular Weight: | 208.641 |
Synonyms: | o-Toluenesulfonylchloride, 4-fluoro- (8CI);2-Methyl-4-fluorobenzenesulfonyl chloride;4-Fluoro-2-methyl-1-benzenesulfonyl chloride;4-Fluoro-2-methylbenzenesulfonylchloride; |
EINECS: | -0 |
Density: | 1.433 |
Boiling Point: | 283.5 ºC at 760 mmHg |
Flash Point: | 125.3ºC |
Hazard Symbols: | Xi |
Risk Codes: | R34 |
Safety: | 26-27-36/37/39 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 42.52000 |
LogP: | 3.14240 |
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The Benzenesulfonylchloride, 4-fluoro-2-methyl-, with the cas registry number 7079-48-3, has the IUPAC name of 4-fluoro-2-methylbenzenesulfonyl chloride. This chemical is sensitive to moisture, with the product categories including Fluoro-contained benzenesulfonyl chloride series; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.86; (6)ACD/BCF (pH 7.4): 73.86; (7)ACD/KOC (pH 5.5): 756.83; (8)ACD/KOC (pH 7.4): 756.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 ; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.13 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 17.89 ×10-24 cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 125.3 °C; (20)Enthalpy of Vaporization: 50.15 kJ/mol; (21)Boiling Point: 283.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00539 mmHg at 25°C.
When you are dealing with this chemical, you should be very cautious. For being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. And then it is corrosive which may destroy living tissue on contact, and it may causes burns. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection. If any accident, take off immediately all contaminated clothing. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)Cl
(2)InChI: InChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3
(3)InChIKey: XLPGWKNCWMFHOD-UHFFFAOYSA-N