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| CAS No.: | 63014-04-0 |
|---|---|
| Name: | 4-N-PROPYLBENZENESULFONYL CHLORIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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|
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| Formula: | C9H11ClO2S |
| Molecular Weight: | 218.704 |
| Synonyms: | 1-Propanesulfonylchloride, 3-phenyl- (6CI);3-Phenyl-1-propanesulfonyl chloride;3-Phenylpropanesulfonyl chloride; |
| Density: | 1.246 g/cm3 |
| Melting Point: | 20-22 °C |
| Boiling Point: | 294.4 °C at 760 mmHg |
| Flash Point: | 131.8 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36/37/39 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 3.64740 |
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- Total:17 Page 1 of 1 1
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Specification
The CAS register number of Benzenepropanesulfonylchloride is 63014-04-0. It also can be called as 3-Phenyl-1-propanesulfonyl chloride and the systematic name about this chemical is 4-propylbenzenesulfonyl chloride. The molecular formula about this chemical is C9H11ClO2S and the molecular weight is 218.7.
Physical properties about Benzenepropanesulfonylchloride are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 273.91; (5)ACD/BCF (pH 7.4): 273.91; (6)ACD/KOC (pH 5.5): 1933.96; (7)ACD/KOC (pH 7.4): 1933.96; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 54.28 cm3; (13)Molar Volume: 175.4 cm3; (14)Polarizability: 21.52x10-24cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.246 g/cm3; (17)Flash Point: 131.8 °C; (18)Enthalpy of Vaporization: 51.26 kJ/mol; (19)Boiling Point: 294.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00287 mmHg at 25 °C.
Uses of Benzenepropanesulfonylchloride: it can be used to produce N-(3,4-dichloro-phenyl)-4-propyl-benzenesulfonamide with 3,4-dichloro-aniline. This reaction will need reagent of pyridine. The reaction time is 30 min with reaction temperature of 90 °C. The yield is about 61%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. If it stains your clothing, take off immediately all contaminated clothing. 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: ClS(=O)(=O)c1ccc(cc1)CCC
(2)InChI: InChI=1/C9H11ClO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3
(3)InChIKey: LEFGAGRZHLNPLS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H11ClO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3
(5)Std. InChIKey: LEFGAGRZHLNPLS-UHFFFAOYSA-N