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| CAS No.: | 39551-54-7 |
|---|---|
| Name: | 2,4-Dichloropyrido[3,2-d]pyrimidine |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H3Cl2N3 |
| Molecular Weight: | 200.027 |
| Synonyms: | 2,4-Dichloropyrido[3,2-d]pyrimidine;Pyrido[3,2-d]pyrimidine, 2,4-dichloro-; |
| Density: | 1.573 g/cm3 |
| Melting Point: | 168-169 °C |
| Boiling Point: | 286.111 °C at 760 mmHg |
| Flash Point: | 154.152 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 38.67000 |
| LogP: | 2.33160 |
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Specification
The 2,4-Dichloropyrido[3,2-d]pyrimidine, with the CAS registry number 39551-54-7, has the systematic name of Pyrido[3,2-d]pyrimidine, 2,4-dichloro-. It belongs to the product category of Chiral Chemicals. And the molecular formula of the chemical is C7H3Cl2N3.
The characteristics of 2,4-Dichloropyrido[3,2-d]pyrimidine are as followings: (1)ACD/LogP: 1.26; (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: 154.152 °C; (14)Enthalpy of Vaporization: 50.413 kJ/mol; (15)Boiling Point: 286.111 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2nc(Cl)nc1c2nccc1
(2)InChI: InChI=1/C7H3Cl2N3/c8-6-5-4(2-1-3-10-5)11-7(9)12-6/h1-3H
(3)InChIKey: UVVFNZJVLRJSMW-UHFFFAOYAF