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Name |
Pyrido[3,4-d]pyrimidine,4,6-dichloro- |
EINECS | N/A |
CAS No. | 171178-48-6 | Density | 1.573 g/cm3 |
PSA | 38.67000 | LogP | 2.33160 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3Cl2N3 | Boiling Point | 340.821 °C at 760 mmHg |
Molecular Weight | 200.0248 | Flash Point | 190.498 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4,6-Dichloropyrido[3,4-d]pyrimidine;pyrido[3,4-d]pyrimidine, 4,6-dichloro-; |
Article Data | 9 |
The Pyrido[3,4-d]pyrimidine,4,6-dichloro-, with the CAS registry number 171178-48-6, has the systematic name of 4,6-dichloropyrido[3,4-d]pyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C7H3Cl2N3.
The physical properties of Pyrido[3,4-d]pyrimidine,4,6-dichloro- are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 38.67 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 48.159 cm3; (9)Molar Volume: 127.122 cm3; (10)Polarizability: 19.092×10-24cm3; (11)Surface Tension: 68.18 dyne/cm; (12)Density: 1.573 g/cm3; (13)Flash Point: 190.498 °C; (14)Enthalpy of Vaporization: 56.128 kJ/mol; (15)Boiling Point: 340.821 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1c2cc(Cl)nc1
(2)InChI: InChI=1/C7H3Cl2N3/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H
(3)InChIKey: CKPNVNAKQGYUSK-UHFFFAOYAJ