CAS No.103360-04-9,(4-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103360-04-9
Name:	(4-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE
Article Data:	14

Formula:	C₇H₆ClFO₂S
Molecular Weight:	208.641
Synonyms:	1-(4-Fluorophenyl)methanesulfonyl chloride;4-Fluorobenzenemethanesulfonyl chloride;4-Fluorobenzylsulfonyl chloride;a-(4-Fluorophenyl)methanesulfonylchloride;
Density:	1.465 g/cm³
Melting Point:	61 °C
Boiling Point:	294.131 °C at 760 mmHg
Flash Point:	131.686 °C
Hazard Symbols:	Xi,C
Risk Codes:	14-29-34-22
Safety:	8-22-26-30-36/37/39-45
PSA:	42.52000
LogP:	2.97510

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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