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| CAS No.: | 67279-24-7 |
|---|---|
| Name: | 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C8H8Cl2N2 |
| Molecular Weight: | 203.071 |
| Synonyms: | 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine; phthalazine, 1,4-dichloro-5,6,7,8-tetrahydro- |
| Density: | 1.385 g/cm3 |
| Boiling Point: | 381.2 °C at 760 mmHg |
| Flash Point: | 216.3 °C |
| PSA: | 25.78000 |
| LogP: | 2.66220 |
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- Total:13 Page 1 of 1 1
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Specification
The systematic name of this chemical is 1,4-dichloro-5,6,7,8-tetrahydrophthalazine. With the CAS registry number 67279-24-7, it is also named as phthalazine, 1,4-dichloro-5,6,7,8-tetrahydro-. This product is an organic compound which the formula is C8H8Cl2N2. In addition, it must be sealed in the container and avoid direct sunshine.
The other characteristics of 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 54.1; (6)ACD/BCF (pH 7.4): 54.1; (7)ACD/KOC (pH 5.5): 605.69; (8)ACD/KOC (pH 7.4): 605.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 49.01 cm3; (14)Molar Volume: 146.6 cm3; (15)Polarizability: 19.42×10-24 cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.385 g/cm3; (18)Flash Point: 216.3 °C; (19)Enthalpy of Vaporization: 60.47 kJ/mol; (20)Boiling Point: 381.2 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc2nnc(Cl)c1CCCCc12;
2. InChI: InChI=1/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2;
3. InChIKey: KLFNXIXNWZZRLE-UHFFFAOYAL.