| Identification | |
| Name: | 1,4-Benzenedicarboxaldehyde,1,4-dioxime |
| Synonyms: | 1,4-Benzenedicarboxaldehyde,dioxime (9CI);Terephthalaldehyde, dioxime (6CI,7CI,8CI);NSC 122436;Terephthalaldehyde oxime;Terephthaldialdehyde dioxime;Terephthaldioxime; |
| CAS: | 18705-39-0 |
| Molecular Formula: | C8H8N2O2 |
| Molecular Weight: | 164.1613 |
| InChI: | InChI=1/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+ |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.2 g/cm3 |
| Refractive index: | 1.567 |
| Specification: |
The 1,4-Benzenedicarboxaldehyde dioxime with the CAS number 18705-39-0 is also called Terephthalaldehyde oxime. The systematic name is (E,E)-benzene-1,4-diylbis(N-hydroxymethanimine). Its molecular formula is C8H8N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 304; (8)ACD/KOC (pH 7.4): 303; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.18 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 44.675 cm3; (15)Molar Volume: 136.753 cm3; (16)Polarizability: 17.71×10-24cm3; (17)Surface Tension: 47.642 dyne/cm; (18)Enthalpy of Vaporization: 55.683 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C. Preparation: This chemical can be prepared by benzene-1,4-dicarbaldehyde. This reaction needs reagent NH2OH*HCl . The yield is 96%. Uses: This chemical can prepare N,N'-dihydroxy-terephthalodiimidoyl dichloride. This reaction needs reagent NCS. The yield is 87%. You can still convert the following datas into molecular structure: |
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