CAS No.1984-28-7,4-BROMO-N-BUTYLBENZENESULPHONAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1984-28-7
Name:	4-BROMO-N-BUTYLBENZENESULPHONAMIDE
Article Data:	4

Formula:	C₁₀H₁₄BrNO₂S
Molecular Weight:	292.197
Synonyms:	Benzenesulfonamide,p-bromo-N-butyl- (7CI,8CI);
Density:	1.42 g/cm³
Melting Point:	51-53 °C
Boiling Point:	368.2 °C at 760 mmHg
Flash Point:	176.5 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
PSA:	54.55000
LogP:	3.99920

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Specification

The Benzenesulfonamide,4-bromo-N-butyl-, with the CAS registry number 1984-28-7, is also known as p-Bromo-N-butylbenzenesulfonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C₁₀H₁₄BrNO₂S and molecular weight is 292.19. What's more, both its IUPAC name and systematic name are the same which is called 4-Bromo-N-butylbenzenesulfonamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. The classification code is Drug / Therapeutic Agent.

Physical properties about Benzenesulfonamide,4-bromo-N-butyl- are: (1) ACD/LogP: 3.60; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.6; (4) ACD/LogD (pH 7.4): 3.6; (5) ACD/BCF (pH 5.5): 320.7; (6) ACD/BCF (pH 7.4): 320.66; (7) ACD/KOC (pH 5.5): 2165.05; (8) ACD/KOC (pH 7.4): 2164.78; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 45.76 Å²; (13) Index of Refraction: 1.549; (14) Molar Refractivity: 65.46 cm³; (15) Molar Volume: 205.7 cm³; (16) Surface Tension: 41.7 dyne/cm; (17) Density: 1.42 g/cm³; (18)Flash Point: 176.5 °C; (19) Enthalpy of Vaporization: 61.48 kJ/mol (20) Boiling Point: 368.2 °C at 760 mmHg; (21) Vapour Pressure: 1.29E-05 mmHg at 25 °C; (22) Melting Point: 51-53 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(Br)cc1)NCCCC
(2) InChI: InChI=1/C10H14BrNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3
(3) InChIKey: OCBNPAKWHULHRB-UHFFFAOYAX

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.