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Name |
Propanedial,2-(4-bromophenyl)- |
EINECS | N/A |
CAS No. | 709648-68-0 | Density | 1.51 g/cm3 |
PSA | 34.14000 | LogP | 1.93050 |
Solubility | N/A | Melting Point |
157-160 |
Formula | C9H7BrO2 | Boiling Point | 302.3 °C at 760 mmHg |
Molecular Weight | 227.057 | Flash Point | 111.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Propanedial,(4-bromophenyl)- (9CI);2-(4-Bromophenyl)malonaldehyde;(4-bromophenyl)propanedial;Propanedial, 2-(4-bromophenyl)-; |
Article Data | 2 |
The Propanedial,2-(4-bromophenyl)-, with cas registry number of 709648-68-0, has the systematic name of (4-bromophenyl)propanedial. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H7BrO2.
The characteristics of Propanedial,2-(4-bromophenyl)- are as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 48.5 cm3; (9)Molar Volume: 150.3 cm3; (10)Polarizability: 19.22×10-24cm3; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.51 g/cm3; (13)Flash Point: 111.1 °C; (14)Enthalpy of Vaporization: 54.25 kJ/mol; (15)Boiling Point: 302.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000997 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(cc1)C(C=O)C=O
(2)InChI: InChI=1/C9H7BrO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
(3)InChIKey: PRLAEKVWSOXWMG-UHFFFAOYAM