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2-Fluoro-5-Methylbenzenesulfonyl chloride

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Name

2-Fluoro-5-Methylbenzenesulfonyl chloride

EINECS N/A
CAS No. 870704-14-6 Density 1.423g/cm3
PSA 42.52000 LogP 3.14240
Solubility N/A Melting Point 32-34°C
Formula C7H6ClFO2S Boiling Point 268.6 °C at 760 mmHg
Molecular Weight 208.641 Flash Point 116.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 870704-14-6 (2-FLUORO-5-METHYLBENZENESULFONYL CHLORI&) Hazard Symbols CorrosiveC
Synonyms

2-Fluoro-5-methylbenzenesulfonylchloride;

 

2-Fluoro-5-Methylbenzenesulfonyl chloride Specification

The 2-Fluoro-5-Methylbenzenesulfonyl chloride, with CAS registry number 870704-14-6, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfonyl Halides; (3)Sulfur Compounds. It has the systematic name of 2-fluoro-5-methylbenzenesulfonyl chloride. And the chemical formula of this chemical is C7H6ClFO2S.

Physical properties of 2-Fluoro-5-Methylbenzenesulfonyl chloride: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.63; (6)ACD/BCF (pH 7.4): 30.63; (7)ACD/KOC (pH 5.5): 403.06; (8)ACD/KOC (pH 7.4): 403.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.13 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 17.89×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 116.2 °C; (20)Enthalpy of Vaporization: 48.63 kJ/mol; (21)Boiling Point: 268.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Fluoro-5-Methylbenzenesulfonyl chloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(ccc1F)C
(2)InChI: InChI=1/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3
(3)InChIKey: MOZTWWZAQLPJMT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3
(5)Std. InChIKey: MOZTWWZAQLPJMT-UHFFFAOYSA-N

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