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CAS No.: | 707-60-8 |
---|---|
Name: | 4-BROMO-N,N-DIMETHYLBENZENESULFONAMIDE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H10BrNO2S |
Molecular Weight: | 264.143 |
Synonyms: | Benzenesulfonamide,p-bromo-N,N-dimethyl- (7CI,8CI);4-Bromo-N,N-dimethylbenzenesulfonamide;N,N-Dimethyl-4-bromobenzenesulfonamide;NSC 406130;p-Bromo-N,N-dimethylbenzenesulfonamide; |
Density: | 1.543 g/cm3 |
Melting Point: | 88-90 °C |
Boiling Point: | 329 °C at 760 mmHg |
Flash Point: | 152.8 °C |
Hazard Symbols: | Xi |
PSA: | 45.76000 |
LogP: | 2.78020 |
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The 4-Bromo-N,N-dimethylbenzenesulfonamide is an organic compound with the formula C8H10BrNO2S. The systematic name of this chemical is 4-bromo-N,N-dimethylbenzenesulfonamide. With the CAS registry number 707-60-8, it is also named as benzenesulfonamide, 4-bromo-N,N-dimethyl-. The product's categories are Blocks; Bromides; Sulfonamides; Aryl; Halogenated; Organohalides. Besides, it should be stored in a closed cool and dry place.
Physical properties about 4-Bromo-N,N-dimethylbenzenesulfonamide are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 38.16; (5)ACD/BCF (pH 7.4): 38.16; (6)ACD/KOC (pH 5.5): 471.78; (7)ACD/KOC (pH 7.4): 471.78; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.76 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 56.42 cm3; (13)Molar Volume: 171.1 cm3; (14)Polarizability: 22.37×10-24cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Density: 1.543 g/cm3; (17)Flash Point: 152.8 °C; (18)Enthalpy of Vaporization: 57.14 kJ/mol; (19)Boiling Point: 329 °C at 760 mmHg; (20)Vapour Pressure: 0.000183 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)N(C)C
(2)InChI: InChI=1/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
(3)InChIKey: NQAUNPZZVCXYEJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
(5)Std. InChIKey: NQAUNPZZVCXYEJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965. | |
rat | LDLo | oral | 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953. |