-
Name
1,4-Benzenedicarboxaldehyde dioxime
- EINECS
- CAS No. 18705-39-0
- Article Data16
- CAS DataBase
- Density 1.2 g/cm3
- Solubility
- Melting Point 132.5 °C (methanol)
- Formula C8H8N2O2
- Boiling Point 288.017 °C at 760 mmHg
- Molecular Weight 164.164
- Flash Point 171.004 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,4-Benzenedicarboxaldehyde,dioxime (9CI);Terephthalaldehyde, dioxime (6CI,7CI,8CI);NSC 122436;Terephthalaldehyde oxime;Terephthaldialdehyde dioxime;Terephthaldioxime;
- PSA 65.18000
- LogP 1.30280
1,4-Benzenedicarboxaldehyde dioxime 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:
(1)SMILES: O\N=C\c1ccc(cc1)\C=N\O
(2)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+
(3)InChIKey: UFJKQCPYFKAUEO-NXZHAISVBH
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