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| CAS No.: | 69907-27-3 |
|---|---|
| Name: | 1-(2-BROMOPHENYL)-1H-PYRROLE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C10H8BrN |
| Molecular Weight: | 222.084 |
| Synonyms: | 1-(2-Bromophenyl)pyrrole;1-(2-bromophenyl)-1H-pyrrole;1-(2-bromophenyl)pyrrole; |
| Density: | 1.38 g/cm3 |
| Boiling Point: | 293.9 °C at 760 mmHg |
| Flash Point: | 131.5 °C |
| PSA: | 4.93000 |
| LogP: | 3.23980 |
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- Total:23 Page 1 of 1 1
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Specification
The 1H-Pyrrole,1-(2-bromophenyl)-, with the CAS registry number 69907-27-3, has the systematic name of 1-(2-bromophenyl)-1H-pyrrole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H8BrN.
The characteristics of 1H-Pyrrole,1-(2-bromophenyl)- are as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 498.09; (6)ACD/BCF (pH 7.4): 498.09; (7)ACD/KOC (pH 5.5): 2967.11; (8)ACD/KOC (pH 7.4): 2967.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 55.04 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 21.82×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 131.5 °C; (20)Enthalpy of Vaporization: 51.21 kJ/mol; (21)Boiling Point: 293.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00295 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccccc1n2cccc2
(2)InChI: InChI=1/C10H8BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H
(3)InChIKey: GFZKXLBCEOLJJH-UHFFFAOYAE