Basic Information | Post buying leads | Suppliers |
Name |
3-Cyano-4-fluorobenzenesulfonyl chloride |
EINECS | -0 |
CAS No. | 351003-23-1 | Density | 1.613 g/cm3 |
PSA | 66.31000 | LogP | 2.70568 |
Solubility | N/A | Melting Point |
67-70 °C(lit.) |
Formula | C7H3ClFNO2S | Boiling Point | 332.838 °C at 760 mmHg |
Molecular Weight | 219.624 | Flash Point | 155.095 °C |
Transport Information | UN 3261 8/PG 2 | Appearance | White to tan powder |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
4-Fluoro-3-cyanobenzenesulfonylchloride; |
The Benzenesulfonylchloride, 3-cyano-4-fluoro-, with the CAS registry number of 351003-23-1, is also known as 4-Fluoro-3-cyanobenzenesulfonyl chloride and 4-Fluoro-3-cyanobenzenesulphonyl chloride. It belongs to the product categories of Sulfonylhalide; Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C7H3ClFNO2S and molecular weight is 219.62. What's more, its systematic name is called 3-Cyano-4-fluorobenzenesulfonyl chloride. In addition, it should avoid contact with oxidant, moisture.
Physical properties about Benzenesulfonylchloride, 3-cyano-4-fluoro- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.83; (6)ACD/BCF (pH 7.4): 20.83; (7)ACD/KOC (pH 5.5): 305.82; (8)ACD/KOC (pH 7.4): 305.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.31 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 45.08 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 17.87×10-24 cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000142 mmHg at 25 °C; (23)Melting Point: 67-70 °C(lit. ).
When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(ccc1F)S(Cl)(=O)=O
(2) InChI: InChI=1/C7H3ClFNO2S/c8-13(11,12)6-1-2-7(9)5(3-6)4-10/h1-3H
(3) InChIKey: KDVZADPGGPBAAK-UHFFFAOYAM