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CAS No.: | 39213-20-2 |
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Name: | 3,5-Dibromobenzenesulfonylchloride |
Molecular Structure: | |
Formula: | C6H3Br2ClO2S |
Molecular Weight: | 334.416 |
Synonyms: | Benzenesulfonyl chloride, 3,5-dibromo-; |
Density: | 2.11 g/cm3 |
Boiling Point: | 365.1 °C at 760 mmHg |
Flash Point: | 174.6 °C |
PSA: | 42.52000 |
LogP: | 4.21990 |
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The 3,5-Dibromobenzenesulfonyl chloride is an organic compound with the formula C6H3Br2ClO2S. The systematic name of this chemical is 3,5-Dibromobenzenesulfonyl chloride. With the CAS registry number 39213-20-2, it is also named as Benzenesulfonyl chloride, 3,5-dibromo-. Besides, its molecular weight is 334.42.
The physical properties of 3,5-Dibromobenzenesulfonyl chloride are: (1)ACD/LogP: 4.22; (2)ACD/LogD (pH 5.5): 4.22; (3)ACD/LogD (pH 7.4): 4.22; (4)ACD/BCF (pH 5.5): 952.23; (5)ACD/BCF (pH 7.4): 952.23; (6)ACD/KOC (pH 5.5): 4718.27; (7)ACD/KOC (pH 7.4): 4718.27; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 55.84 cm3; (13)Molar Volume: 158.4 cm3; (14)Polarizability: 22.13×10-24 cm3; (15)Surface Tension: 51.4 dyne/cm; (16)Density: 2.11 g/cm3; (17)Flash Point: 174.6 °C; (18)Enthalpy of Vaporization: 58.73 kJ/mol; (19)Boiling Point: 365.1 °C at 760 mmHg; (20)Vapour Pressure: 3.37E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H3Br2ClO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
(3)InChIKey: PCSALOWJAYHZFZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H3Br2ClO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
(5)Std. InChIKey: PCSALOWJAYHZFZ-UHFFFAOYSA-N