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| CAS No.: | 63525-48-4 |
|---|---|
| Name: | 2,5-DIBROMO-1,4-BENZENEDICARBOXALDEHYDE |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C8H4Br2O2 |
| Molecular Weight: | 291.927 |
| Synonyms: | 2,5-dibromoterephthalaldehyde; |
| Density: | 2.011 g/cm3 |
| Melting Point: | 189 °C |
| Boiling Point: | 357.396 °C at 760 mmHg |
| Flash Point: | 139.818 °C |
| PSA: | 34.14000 |
| LogP: | 2.83660 |
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Specification
The 2,5-Dibromobenzene-1,4-dicarbaldehyde, with the CAS registry number 63525-48-4, has the systematic name and IUPAC name of 2,5-dibromoterephthalaldehyde. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C8H4Br2O2.
The characteristics of 2,5-Dibromobenzene-1,4-dicarbaldehyde are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.143; (4)ACD/LogD (pH 7.4): 3.143; (5)ACD/BCF (pH 5.5): 144.207; (6)ACD/BCF (pH 7.4): 144.207; (7)ACD/KOC (pH 5.5): 1221.834; (8)ACD/KOC (pH 7.4): 1221.834; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 55.139 cm3; (15)Molar Volume: 145.135 cm3; (16)Polarizability: 21.859×10-24cm3; (17)Surface Tension: 56.768 dyne/cm; (18)Density: 2.011 g/cm3; (19)Flash Point: 139.818 °C; (20)Enthalpy of Vaporization: 60.276 kJ/mol; (21)Boiling Point: 357.396 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(c(cc(c1Br)C=O)Br)C=O
(2)InChI: InChI=1/C8H4Br2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H
(3)InChIKey: VSUKSWCSOBXUFG-UHFFFAOYAZ