Propanedial,2-(4-bromophenyl)- supplier

Name
2-(4-BROMOPHENYL)MALONDIALDEHYDE
EINECS
CAS No. 709648-68-0
Article Data2
CAS DataBase
Density 1.51 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Propanedial,(4-bromophenyl)- (9CI);2-(4-Bromophenyl)malonaldehyde;(4-bromophenyl)propanedial;Propanedial, 2-(4-bromophenyl)-;
PSA 34.14000
LogP 1.93050

Propanedial,2-(4-bromophenyl)- 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

Product Name

2-(4-BROMOPHENYL)MALONDIALDEHYDE

Propanedial,2-(4-bromophenyl)- Specification

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