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| CAS No.: | 85822-16-8 |
|---|---|
| Name: | 4-FORMYLBENZENESULFONYL CHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H5ClO3S |
| Molecular Weight: | 204.634 |
| Synonyms: | 4-Chlorosulfonylbenzaldehyde;4-Formylbenzenesulfonyl chloride; |
| Density: | 1.485 g/cm3 |
| Boiling Point: | 327 °C at 760 mmHg |
| Flash Point: | 151.6 °C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 59.59000 |
| LogP: | 2.50740 |
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Specification
The Benzenesulfonyl chloride, 4-formyl-, with the CAS registry number 85822-16-8, is also known as p-Formylbenzenesulfonyl chloride. It belongs to the product category of Sulfonylhalide. This chemical's molecular formula is C7H5ClO3S and molecular weight is 204.63. What's more, both its IUPAC name and systematic name are the same which is called 4-Formylbenzenesulfonyl chloride.
Physical properties about Benzenesulfonyl chloride, 4-formyl- are: (1) ACD/LogP: 1.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.86; (4) ACD/LogD (pH 7.4): 1.86; (5) ACD/BCF (pH 5.5): 15.23; (6) ACD/BCF (pH 7.4): 15.23; (7) ACD/KOC (pH 5.5): 244.48; (8) ACD/KOC (pH 7.4): 244.48; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 59.59 Å2; (13) Index of Refraction: 1.572; (14) Molar Refractivity: 45.36 cm3; (15) Molar Volume: 137.7 cm3; (16) Surface Tension: 51.6 dyne/cm; (17) Density: 1.485 g/cm3; (18) Flash Point: 151.6 °C; (19) Enthalpy of Vaporization: 56.93 kJ/mol; (20) Boiling Point: 327 °C at 760 mmHg; (21) Vapour Pressure: 0.000208 mmHg at 25 °C.
Uses of Benzenesulfonyl chloride, 4-formyl-: it can react with 4-Methoxy-phenol to give 4-Formyl-benzenesulfonic acid 4-methoxy-phenyl ester.
This reaction needs reagent Et3N and solvent CHCl3 at ambient temperature. The reaction time is 9 hours. The yield is 85 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1ccc(C=O)cc1
(2) InChI: InChI=1/C7H5ClO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H
(3) InChIKey: MSWSPWGBDIQKKR-UHFFFAOYAP