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CAS No.: | 16851-84-6 |
---|---|
Name: | 1-(4-BROMOPHENYLSULFONYL)-1H-PYRROLE |
Molecular Structure: | |
Formula: | C10H8BrNO2S |
Molecular Weight: | 286.149 |
Synonyms: | Pyrrole,1-[(p-bromophenyl)sulfonyl]- (8CI);1-(4-Bromophenylsulfonyl)-1H-pyrrole; |
Density: | 1.58 g/cm3 |
Melting Point: | 156-161 °C |
Boiling Point: | 409.9 °C at 760 mmHg |
Flash Point: | 201.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful/Irritant/Keep "> Xi:Harmful/Irritant/Keep |
PSA: | 47.45000 |
LogP: | 3.56840 |
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The 1H-Pyrrole,1-[(4-bromophenyl)sulfonyl]- is an organic compound with the formula C10H8BrNO2S. The systematic name of this chemical is 1-[(4-Bromophenyl)sulfonyl]-1H-pyrrole. With the CAS registry number 16851-84-6, it is also named as 1-Bromo-4-(pyrrolylsulfonyl)benzene. The product's categories are Blocks; Bromides. Besides, it should be stored in a cool place.
Physical properties about 1H-Pyrrole,1-[(4-bromophenyl)sulfonyl]- are: (1)ACD/LogP: 3.31; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 191.32; (5)ACD/BCF (pH 7.4): 191.32; (6)ACD/KOC (pH 5.5): 1495.87; (7)ACD/KOC (pH 7.4): 1495.87; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.45 Å2; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 64.79 cm3; (13)Molar Volume: 180.2 cm3; (14)Polarizability: 25.68×10-24 cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.58 g/cm3; (17)Flash Point: 201.7 °C; (18)Enthalpy of Vaporization: 66.22 kJ/mol; (19)Boiling Point: 409.9 °C at 760 mmHg; (20)Vapour Pressure: 6.25E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H8BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
(2)InChIKey: WTLWGWZWPABAIF-UHFFFAOYAP
(3)Std. InChI: InChI=1S/C10H8BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
(4)Std. InChIKey: WTLWGWZWPABAIF-UHFFFAOYSA-N