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530-97-2

Basic Information
CAS No.: 530-97-2
Name: HEPTOXIME
Molecular Structure:
Molecular Structure of 530-97-2 (HEPTOXIME)
Formula: C7H12N2O2
Molecular Weight: 156.184
Synonyms: 1,2-Cycloheptanedione, dioxime, (1E,2E)-;Cycloheptane-1,2-dione dioxime;
EINECS: 208-499-9
Density: 1.295g/cm3
Melting Point: 182℃ (benzene )
Boiling Point: 347.453 °C at 760 mmHg
Flash Point: 216.522 °C
PSA: 65.18000
LogP: 1.61090
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Specification

The 1,2-Cycloheptanedione,1,2-dioxime, with the CAS registry number 530-97-2, is also known as 1,2-Cycloheptanedione, dioxime, (1E,2E)- and Cycloheptane-1,2-dione dioxime. Its EINECS registry number is 208-499-9. This chemical's molecular formula is C7H12N2O2 and molecular weight is 156.1824. What's more, its systematic name is called (1E,2E)-N,N'-Dihydroxycycloheptane-1,2-diimine.

Physical properties about this chemical are: (1)ACD/LogP: 1.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.18 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 40.065 cm3; (15)Molar Volume: 120.596 cm3; (16)Surface Tension: 49.993 dyne/cm; (17)Density: 1.295 g/cm3; (18)Flash Point: 216.522 °C; (19)Enthalpy of Vaporization: 68.527 kJ/mol; (20)Boiling Point: 347.453 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 1,2-Cycloheptanedione,1,2-dioxime: it is used to produce other chemicals. For example, it is used to produce 2,2-Dimethylcyclohepta-2H-imidazole 1,3-dioxide.

The reaction occurs with reagent HCl. The yield is 50%.

You can still convert the following datas into molecular structure:
(1) SMILES: O\N=C1/CCCCC/C1=N\O
(2) InChI: InChI=1/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2/b8-6+,9-7+
(3) InChIKey: LJIRXNPXTVQOEU-CDJQDVQCBX