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(4-Fluoro-phenyl)-methanesulfonyl chloride

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Name

(4-Fluoro-phenyl)-methanesulfonyl chloride

EINECS N/A
CAS No. 103360-04-9 Density 1.465 g/cm3
PSA 42.52000 LogP 2.97510
Solubility N/A Melting Point 61 °C
Formula C7H6ClFO2S Boiling Point 294.131 °C at 760 mmHg
Molecular Weight 208.641 Flash Point 131.686 °C
Transport Information N/A Appearance N/A
Safety 8-22-26-30-36/37/39-45 Risk Codes 14-29-34-22
Molecular Structure Molecular Structure of 103360-04-9 ((4-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

1-(4-Fluorophenyl)methanesulfonyl chloride;4-Fluorobenzenemethanesulfonyl chloride;4-Fluorobenzylsulfonyl chloride;a-(4-Fluorophenyl)methanesulfonylchloride;

Article Data 14

(4-Fluoro-phenyl)-methanesulfonyl chloride Specification

The IUPAC name of Benzenemethanesulfonylchloride, 4-fluoro- is (4-fluorophenyl)methanesulfonyl chloride. With the CAS registry number 103360-04-9, it is also named as 1-(4-Fluorophenyl)methanesulfonyl chloride. The product's categories are Phenyls & Phenyl-Het; Sulphonyl Chlorides; Phenyls & Phenyl-Het; Sulphonyl Chlorides; Organic Building Blocks Organic Building Blocks; Chemical Synthesis; New Products for Chemical Synthesis; Sulfonyl Halides; Sulfur Compounds. In addition, its molecular formula is C7H6ClFO2S and its molecular weight is 208.64.

The other characteristics of Benzenemethanesulfonylchloride, 4-fluoro- can be summarized as: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.78; (6)ACD/BCF (pH 7.4): 21.78; (7)ACD/KOC (pH 5.5): 315.8; (8)ACD/KOC (pH 7.4): 315.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 45.14 cm3; (14)Molar Volume: 142.3 cm3; (15)Surface Tension: 47 dyne/cm; (16)Density: 1.465 g/cm3; (17)Flash Point: 131.7 °C; (18)Melting Point: 61 °C; (19)Enthalpy of Vaporization: 51.24 kJ/mol; (20)Boiling Point: 294.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0029 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it reacts violently with water. Please keep container dry. And never add water to this product. It is also harmful if swallowed, and toxic in contact with skin. Moreover, it is danger of very serious irreversible effects.Please do not breathe dust. You should wear suitable protective clothing, gloves and eye/face protection. Furthermore, in case of 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.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc(cc1)CS(Cl)(=O)=O
(2)InChI: InChI=1/C7H6ClFO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5H2
(3)InChIKey: UUQGWVIRPCRTSA-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5H2
(5)Std. InChIKey: UUQGWVIRPCRTSA-UHFFFAOYSA-N

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