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CAS No.: | 7720-45-8 |
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Name: | 2,5-DICHLORO-BENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C6H5Cl2NO2S |
Molecular Weight: | 226.083 |
Synonyms: | 2,5-Dichlorobenzenesulfonamide;NSC 42185; |
Density: | 1.588 g/cm3 |
Boiling Point: | 387.8 °C at 760 mmHg |
Flash Point: | 188.3 °C |
PSA: | 68.54000 |
LogP: | 3.42190 |
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The CAS registry number of Benzenesulfonamide,2,5-dichloro- is 7720-45-8. This chemical is also named as 2,5-Dichlorobenzene-1-sulfonamide. In addition, its molecular formula is C6H5Cl2NO2S and molecular weight is 226.0804. Its systematic name and IUPAC name are the same which is called 2,5-dichlorobenzenesulfonamide.
Physical properties about Benzenesulfonamide,2,5-dichloro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.22; (6)ACD/BCF (pH 7.4): 9.13; (7)ACD/KOC (pH 5.5): 170.63; (8)ACD/KOC (pH 7.4): 168.93; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 48.84 cm3; (14)Molar Volume: 142.2 cm3; (15)Surface Tension: 54.8 dyne/cm; (16)Density: 1.588 g/cm3; (17)Flash Point: 188.3 °C; (18)Enthalpy of Vaporization: 63.69 kJ/mol; (19)Boiling Point: 387.8 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Cl)ccc1Cl)N
(2)InChI: InChI=1/C6H5Cl2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
(3)InChIKey: UMHSKUILJUFIEK-UHFFFAOYAV