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| CAS No.: | 709648-68-0 |
|---|---|
| Name: | 2-(4-BROMOPHENYL)MALONDIALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H7BrO2 |
| Molecular Weight: | 227.057 |
| Synonyms: | Propanedial,(4-bromophenyl)- (9CI);2-(4-Bromophenyl)malonaldehyde;(4-bromophenyl)propanedial;Propanedial, 2-(4-bromophenyl)-; |
| Density: | 1.51 g/cm3 |
| Melting Point: | 157-160 |
| Boiling Point: | 302.3 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 34.14000 |
| LogP: | 1.93050 |
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- Total:11 Page 1 of 1 1
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Specification
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