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CAS No.: | 1984-25-4 |
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Name: | 4-BROMO-N-ETHYLBENZENESULPHONAMIDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H10BrNO2S |
Molecular Weight: | 264.143 |
Synonyms: | Benzenesulfonamide,p-bromo-N-ethyl- (6CI,7CI,8CI);4-(N-Ethylsulfamoyl)phenyl bromide;4-Bromo-N-ethylbenzenesulfonamide;N-Ethyl-4-bromobenzenesulfonamide;N-Ethyl-p-bromobenzenesulfonamide;NSC 406251; |
Density: | 1.529 g/cm3 |
Melting Point: | 69-71 °C |
Boiling Point: | 342.5 °C at 760 mmHg |
Flash Point: | 161 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 54.55000 |
LogP: | 3.21900 |
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The Benzenesulfonamide,4-bromo-N-ethyl-, with the CAS registry number 1984-25-4, is also known as N-Ethyl-p-bromobenzenesulfonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C8H10BrNO2S and molecular weight is 264.14. Its IUPAC name is called 4-bromo-N-ethylbenzenesulfonamide. This chemical's classification codes are Agricultural Chemical; Drug / Therapeutic Agent; Experimental pesticide; Unspecified / Unclassified pesticide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzenesulfonamide,4-bromo-N-ethyl-: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.54; (4)ACD/BCF (pH 5.5): 49.94; (5)ACD/BCF (pH 7.4): 49.93; (6)ACD/KOC (pH 5.5): 571.95; (7)ACD/KOC (pH 7.4): 571.88; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 56.2 cm3; (13)Molar Volume: 172.7 cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.529 g/cm3; (16)Flash Point: 161 °C; (17)Enthalpy of Vaporization: 58.63 kJ/mol; (18)Boiling Point: 342.5 °C at 760 mmHg; (19)Vapour Pressure: 7.48E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)Br
(2)InChI: InChI=1S/C8H10BrNO2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
(3)InChIKey: CEPUEFFXFOOTDZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 562mg/kg (562mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965. | |
rat | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 20, 1953. |