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Name |
1-Chloro-4-(3,4-dimethylphenyl)phthalazine |
EINECS | N/A |
CAS No. | 129842-38-2 | Density | 1.222 g/cm3 |
PSA | 25.78000 | LogP | 4.56700 |
Solubility | N/A | Melting Point |
151-153℃ |
Formula | C16H13ClN2 | Boiling Point | 456.1 °C at 760 mmHg |
Molecular Weight | 268.7408 | Flash Point | 262 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Chloro-4-(3,4-dimethylphenyl)phthalazine (IM OCS); |
The 1-Chloro-4-(3,4-dimethylphenyl)phthalazine, with the CAS registry number 129842-38-2, is also known as Phthalazine, 1-chloro-4-(3,4-dimethylphenyl)-. This chemical's molecular formula is C16H13ClN2 and molecular weight is 268.7408. What's more, its systematic name is called 1-Chloro-4-(3,4-dimethylphenyl)phthalazine.
Physical properties about 1-Chloro-4-(3,4-dimethylphenyl)phthalazine are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 79.41 cm3; (9)Molar Volume: 219.7 cm3; (10)Surface Tension: 49.8 dyne/cm; (11)Density: 1.222 g/cm3; (12)Flash Point: 262 °C; (13)Enthalpy of Vaporization: 68.85 kJ/mol; (14)Boiling Point: 456.1 °C at 760 mmHg; (15)Vapour Pressure: 4.51E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nnc(c1c2cccc1)c3ccc(c(c3)C)C
(2) InChI: InChI=1/C16H13ClN2/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(17)19-18-15/h3-9H,1-2H3
(3) InChIKey: GYYXXMBDNZTEND-UHFFFAOYAE