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| CAS No.: | 73035-16-2 |
|---|---|
| Name: | 3-ACETYLBENZENESULFONYL CHLORIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7ClO3S |
| Molecular Weight: | 218.661 |
| Synonyms: | Benzenesulfonylchloride, m-acetyl- (7CI);3-Acetylbenzenesulfonyl chloride; |
| Density: | 1.387g/cm3 |
| Melting Point: | 43-45°C |
| Boiling Point: | 347 °C at 760 mmHg |
| Flash Point: | 163.7 °C |
| PSA: | 59.59000 |
| LogP: | 2.89750 |
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- Total:13 Page 1 of 1 1
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Specification
The 3-Acetylbenzenesulfonyl chloride, with CAS registry number 73035-16-2, belongs to the following product category: Sulfonylhalide. It has the systematic name of 3-acetylbenzenesulfonyl chloride. Besides this, it is also called Benzenesulfonyl chloride, 3-acetyl-. And the chemical formula of tihs chemical is C8H7ClO3S.
Physical properties of 3-Acetylbenzenesulfonyl chloride: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.58; (6)ACD/BCF (pH 7.4): 14.58; (7)ACD/KOC (pH 5.5): 236.94; (8)ACD/KOC (pH 7.4): 236.94; (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: 1.544; (14)Molar Refractivity: 49.77 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 19.73×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 59.12 kJ/mol; (19)Vapour Pressure: 5.54E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(C(=O)C)ccc1
(2)InChI: InChI=1/C8H7ClO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3
(3)InChIKey: CGMBNEIGZOCPPP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7ClO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3
(5)Std. InChIKey: CGMBNEIGZOCPPP-UHFFFAOYSA-N