Name: 2-BROMO-4-FLUOROBENZENESULFONYL CHLORIDE
SKU: 351003-45-7

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Basic Information

Molecular Structure:
CAS No.:	351003-45-7
Name:	2-BROMO-4-FLUOROBENZENESULFONYL CHLORIDE

Formula:	C₆H₃BrClFO₂S
Molecular Weight:	273.51
Synonyms:	Chroman-2-Carboxylic Acid Ethyl Ester;
EINECS:	-0
Density:	1.867 g/cm³
Melting Point:	37-39 °C
Boiling Point:	317.945 °C at 760 mmHg
Flash Point:	146.088 °C
Solubility:	Hydrolyzes in water.
Hazard Symbols:	C
Risk Codes:	10-34
Safety:	16-26-36/37/39-45
Transport Information:	UN 2920 8/PG 2
PSA:	42.52000
LogP:	3.59650

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Specification

The 4-Fluoro-2-bromobenzenesulfonyl chloride, with the CAS registry number of 351003-45-7, is also known as 2-Bromo-4-fluorobenzenesulphonyl chloride and Chroman-2-carboxylic acid ethyl ester. It belongs to the product categories of Aromatic Halides (substituted); Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₆H₃BrClFO₂S and molecular weight is 273.51. What's more, its systematic name is called 2-Bromo-4-fluorobenzenesulfonyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool, well-ventilated place. Meanwhile, it should avoid contact with oxidant, moisture, alkali.

Physical properties about 4-Fluoro-2-bromobenzenesulfonyl chloride are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.14; (6)ACD/BCF (pH 7.4): 82.14; (7)ACD/KOC (pH 5.5): 816.69; (8)ACD/KOC (pH 7.4): 816.69; (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: 1.572; (14)Molar Refractivity: 48.23 cm³; (15)Molar Volume: 146.4 cm³; (16)Polarizability: 19.12×10^-24 cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.867 g/cm³; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 53.71 kJ/mol; (21)Boiling Point: 317.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000694 mmHg at 25 °C; (23)Melting Point: 37-39 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. Hence, keep it away from sources of ignition. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1ccc(F)cc1Br
(2) InChI: InChI=1/C6H3BrClFO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
(3) InChIKey: GJPWPFVLPNTOOL-UHFFFAOYAV