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CAS No.: | 19116-90-6 |
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Name: | 2,5-DIMETHOXYBENZENESULFONAMIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H11NO4S |
Molecular Weight: | 217.246 |
Synonyms: | 2,5-Dimethoxybenzenesulfonamide; |
Density: | 1.305 g/cm3 |
Melting Point: | 150 °C |
Boiling Point: | 416.2 °C at 760 mmHg |
Flash Point: | 205.5 °C |
Hazard Symbols: | Xi |
PSA: | 87.00000 |
LogP: | 2.13230 |
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The CAS registry number of Benzenesulfonamide,2,5-dimethoxy- is19116-90-6. This chemical is also named as 2,5-Dimethoxybenzene-1-sulfonamide. In addition, its molecular formula is C8H11NO4S and molecular weight is 217.24. Its systematic name and IUPAC name are the same which is called 2,5-dimethoxybenzenesulfonamide. This chemical's classification codes are Drug; Therapeutic agent. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide,2,5-dimethoxy- are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.36; (7)ACD/KOC (pH 5.5): 43.55; (8)ACD/KOC (pH 7.4): 43.46; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 51.92 cm3; (14)Molar Volume: 166.3 cm3; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 205.5 °C; (18)Enthalpy of Vaporization: 66.94 kJ/mol; (19)Boiling Point: 416.2 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(OC)ccc1OC)N
(2)InChI: InChI=1/C8H11NO4S/c1-12-6-3-4-7(13-2)8(5-6)14(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
(3)InChIKey: MMHMYFWOECSGDR-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 316, 1952. |