CAS No.707-60-8,4-BROMO-N,N-DIMETHYLBENZENESULFONAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	707-60-8
Name:	4-BROMO-N,N-DIMETHYLBENZENESULFONAMIDE
Article Data:	17

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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Specification

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.