Name: 3-CYANO-4-FLUOROBENZENESULFONYL CHLORIDE
SKU: 351003-23-1

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Basic Information

Molecular Structure:
CAS No.:	351003-23-1
Name:	3-CYANO-4-FLUOROBENZENESULFONYL CHLORIDE

Formula:	C₇H₃ClFNO₂S
Molecular Weight:	219.624
Synonyms:	4-Fluoro-3-cyanobenzenesulfonylchloride;
EINECS:	-0
Density:	1.613 g/cm³
Melting Point:	67-70 °C(lit.)
Boiling Point:	332.838 °C at 760 mmHg
Flash Point:	155.095 °C
Appearance:	White to tan powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3261 8/PG 2
PSA:	66.31000
LogP:	2.70568

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Specification

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