Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(4-Methoxyphenyl)-1-(2H)-phthalazinon |
EINECS | N/A |
CAS No. | 57353-93-2 | Density | 1.25 g/cm3 |
PSA | 54.98000 | LogP | 2.59870 |
Solubility | N/A | Melting Point |
240-244 ºC |
Formula | C15H12N2O2 | Boiling Point | N/A |
Molecular Weight | 252.272 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1(2H)-Phthalazinone, 4-(4-methoxyphenyl)-; |
Article Data | 10 |
The 4-(4-Methoxyphenyl)-1-(2H)-phthalazinon, with the CAS registry number 57353-93-2, is also known as 1(2H)-Phthalazinone, 4-(4-methoxyphenyl)-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyridazines. This chemical's molecular formula is C15H12N2O2 and molecular weight is 252.26798. What's more, its systematic name is called 4-(4-Methoxyphenyl)phthalazin-1(2H)-one.
Physical properties about 4-(4-Methoxyphenyl)-1-(2H)-phthalazinon are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.96; (6)ACD/BCF (pH 7.4): 37.96; (7)ACD/KOC (pH 5.5): 469.99; (8)ACD/KOC (pH 7.4): 469.97; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 72.19 cm3; (15)Molar Volume: 200.8 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.25 g/cm3.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c3ccccc3\C(=N/N1)c2ccc(OC)cc2
(2) InChI: InChI=1/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
(3) InChIKey: RYLLTTFNKPGBNO-UHFFFAOYAX