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| CAS No.: | 2905-21-7 |
|---|---|
| Name: | 2-Fluorobenzenesulfonyl chloride |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C6H4ClFO2S |
| Molecular Weight: | 194.614 |
| Synonyms: | Benzenesulfonylchloride, o-fluoro- (7CI);2-Fluorobenzene-1-sulfonyl chloride;o-Fluorobenzenesulfonyl chloride; |
| EINECS: | -0 |
| Density: | 1.493 g/cm3 |
| Melting Point: | 27-30 °C(lit.) |
| Boiling Point: | 242 °C at 760 mmHg |
| Flash Point: | 100.2 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 34-36/37/38 |
| Safety: | 26-27-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 2.83400 |
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Specification
The 2-Fluorobenzenesulfonyl chloride with cas registry number of 2905-21-7 is also known as 2-Fluorobenzene-1-sulfonyl chloride. It belongs to several categories including Fluoro-contained benzenesulfonyl chloride series; Fluorobenzene; Aromatic Halides (substituted); Benzenes; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Both its systematic name and IUPAC name are the same which is called 2-fluorobenzenesulfonyl chloride. This chemical is sensitive to moisture with appearance of clear colorless to yellow liquid.
The physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 13.69; (7)ACD/KOC (pH 5.5): 226.51; (8)ACD/KOC (pH 7.4): 226.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 40.51 cm3; (14)Molar Volume: 130.2 cm3; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.493 g/cm3; (17)Flash Point: 100.2 °C; (18)Enthalpy of Vaporization: 45.96 kJ/mol; (19)Boiling Point: 242 °C at 760 mmHg; (20)Vapour Pressure: 0.0541 mmHg at 25°C; (21)Refractive index: 1.535-1.538.
Uses of 2-Fluorobenzenesulfonyl chloride: it can react with 2-methyl-benzyl alcohol to give 2-fluoro-benzenesulfonic acid 2-formyl-phenyl ester by using reagent NaOH and solvent H2O, CH2Cl2.The reaction occurs at temperature 20 ℃ with 63% yield.
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When you are using this chemical, please be cautious about it as the following:
Because this chemical can cause burns and irritating to eyes, respiratory system and skin, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. After use it, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccccc1F;
(2)InChI: InChI=1/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H;
(3)InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYAL