Basic Information | Post buying leads | Suppliers |
Name |
2-Bromo-4-fluorobenzenesulfonyl chloride |
EINECS | -0 |
CAS No. | 351003-45-7 | Density | 1.867 g/cm3 |
PSA | 42.52000 | LogP | 3.59650 |
Solubility | Hydrolyzes in water. | Melting Point |
37-39 °C |
Formula | C6H3BrClFO2S | Boiling Point | 317.945 °C at 760 mmHg |
Molecular Weight | 273.51 | Flash Point | 146.088 °C |
Transport Information | UN 2920 8/PG 2 | Appearance | N/A |
Safety | 16-26-36/37/39-45 | Risk Codes | 10-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Chroman-2-Carboxylic Acid Ethyl Ester; |
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