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1H-Pyrrole,1-(2-bromophenyl)-

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Name

1H-Pyrrole,1-(2-bromophenyl)-

EINECS N/A
CAS No. 69907-27-3 Density 1.38 g/cm3
PSA 4.93000 LogP 3.23980
Solubility N/A Melting Point N/A
Formula C10H8BrN Boiling Point 293.9 °C at 760 mmHg
Molecular Weight 222.084 Flash Point 131.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69907-27-3 (1-(2-BROMOPHENYL)-1H-PYRROLE) Hazard Symbols N/A
Synonyms

1-(2-Bromophenyl)pyrrole;1-(2-bromophenyl)-1H-pyrrole;1-(2-bromophenyl)pyrrole;

Article Data 16

1H-Pyrrole,1-(2-bromophenyl)- 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

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