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CAS No.: | 160233-28-3 |
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Name: | 4-(BENZENESULFONYL)THIOPHENE-2-SULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C10H7ClO4S3 |
Molecular Weight: | 322.81 |
Synonyms: | 4-(Benzenesulfonyl)thiophene-2-sulfonylchloride;4-(Phenylsulfonyl)thiophene-2-sulfonyl chloride;4-Benzenesulfonylthiophene-2-sulphonylchloride; |
Density: | 1.582 g/cm3 |
Melting Point: | 101 °C |
Boiling Point: | 519.7 °C at 760 mmHg |
Flash Point: | 268.1 °C |
Hazard Symbols: | C, Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 113.28000 |
LogP: | 4.67000 |
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The 2-Thiophenesulfonylchloride, 4-(phenylsulfonyl)- is an organic compound with the formula C10H7ClO4S3. The systematic name of this chemical is 4-(Phenylsulfonyl)thiophene-2-sulfonyl chloride. With the CAS registry number 160233-28-3, it is also named as 4-Benzenesulphonylthiophene-2-sulphonyl chloride. The product's category is Benzenesulfonyl Chloride. Besides, it should be stored in a cool, sealed, dry, well-ventilated place.
Physical properties about 2-Thiophenesulfonylchloride, 4-(phenylsulfonyl)- are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.86; (4)ACD/BCF (pH 5.5): 88.28; (5)ACD/BCF (pH 7.4): 88.28; (6)ACD/KOC (pH 5.5): 859.91; (7)ACD/KOC (pH 7.4): 859.91; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 113.28 Å2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 72.06 cm3; (13)Molar Volume: 203.9 cm3; (14)Polarizability: 28.57×10-24 cm3; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.582 g/cm3; (17)Flash Point: 268.1 °C; (18)Enthalpy of Vaporization: 76.27 kJ/mol; (19)Boiling Point: 519.7 °C at 760 mmHg; (20)Vapour Pressure: 2.19E-10 mmHg at 25 °C.
Uses of 2-Thiophenesulfonylchloride, 4-(phenylsulfonyl)-: it can be used to produce 2-Bromo-1-(4-chloro-phenyl)-propan-1-one at temperature of - 78 °C. It will need reagent NH3 and solvent CH2Cl2 with reaction time of 4 hours. The yield is about 89.9%.
When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are 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. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H
(2)InChIKey: QTFQOMVQDFBUDL-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H
(4)Std. InChIKey: QTFQOMVQDFBUDL-UHFFFAOYSA-N