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Benzenesulfonamide,2,5-dibromo-

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Name

Benzenesulfonamide,2,5-dibromo-

EINECS N/A
CAS No. 7467-11-0 Density 2.089 g/cm3
PSA 68.54000 LogP 3.64010
Solubility N/A Melting Point 204-206℃
Formula C6H5Br2NO2S Boiling Point 424.1 °C at 760 mmHg
Molecular Weight 314.985 Flash Point 210.3 °C
Transport Information N/A Appearance N/A
Safety 3/7-22-26-36/37/39-45-51 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 7467-11-0 (2,5-DIBROMO-BENZENESULFONAMIDE) Hazard Symbols Xn
Synonyms

2,5-Dibromobenzenesulfonamide; 2,5-Dibromo-benzenesulfonamide; Benzenesulfonamide, 2,5-dibromo-

 

Benzenesulfonamide,2,5-dibromo- Specification

The CAS registry number of Benzenesulfonamide,2,5-dibromo- is 7467-11-0. This chemical is also named as NSC 400646. In addition, its molecular formula is C6H5Br2NO2S and molecular weight is 314.9824. Its systematic name and IUPAC name are the same which is called 2,5-dibromobenzenesulfonamide.

Physical properties about Benzenesulfonamide,2,5-dibromo- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.51; (6)ACD/BCF (pH 7.4): 16.35; (7)ACD/KOC (pH 5.5): 258.98; (8)ACD/KOC (pH 7.4): 256.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 54.63 cm3; (14)Molar Volume: 150.7 cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 2.089 g/cm3; (17)Flash Point: 210.3 °C; (18)Enthalpy of Vaporization: 67.85 kJ/mol; (19)Boiling Point: 424.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1Br)N
(2)InChI: InChI=1/C6H5Br2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
(3)InChIKey: INERZUPHFUUUPD-UHFFFAOYAT

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