Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloropyrido[3,2-d]pyrimidine |
EINECS | N/A |
CAS No. | 51674-77-2 | Density | 1.438 g/cm3 |
PSA | 38.67000 | LogP | 1.67820 |
Solubility | N/A | Melting Point |
136-139 °C (decomp) |
Formula | C7H4ClN3 | Boiling Point | 297.293 °C at 760 mmHg |
Molecular Weight | 165.582 | Flash Point | 161.721 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloropyrido[3,2-d]pyrimidine; |
Article Data | 8 |
The 4-Chloropyrido[3,2-d]pyrimidine, with the CAS registry number 51674-77-2, is also known as pyrido[3,2-d]pyrimidine, 4-chloro-. Its molecular formula is C7H4ClN3 and its molecular weight is 165.57976. Additionally, its product category is Chiral Chemicals.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 23; (6)ACD/KOC (pH 7.4): 23; (7)#H bond acceptors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 38.67 Å2; (10)Index of Refraction: 1.675; (11)Molar Refractivity: 43.264 cm3; (12)Molar Volume: 115.171 cm3; (13)Polarizability: 17.151×10-24cm3; (14)Surface Tension: 66.93 dyne/cm; (15)Density: 1.438 g/cm3; (16)Flash Point: 161.721 °C; (17)Enthalpy of Vaporization: 51.564 kJ/mol; (18)Boiling Point: 297.293 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1cccnc12
(2)InChI: InChI=1/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H
(3)InChIKey: PVTHTRIHQGKZNE-UHFFFAOYAM