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| CAS No.: | 16372-08-0 |
|---|---|
| Name: | 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine |
| Molecular Structure: | |
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| Formula: | C6H6ClN3 |
| Molecular Weight: | 155.587 |
| Synonyms: | 5H-pyrrolo[2,3-d]pyrimidine, 4-chloro-6,7-dihydro-; |
| Density: | 1.377 g/cm3 |
| Melting Point: | 158.5-160 °C |
| Boiling Point: | 311.9 °C at 760 mmHg |
| Flash Point: | 142.5 °C |
| PSA: | 41.57000 |
| LogP: | 1.61130 |
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Specification
The 4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine with the cas number 16372-08-0 is also called 5H-pyrrolo[2,3-d]pyrimidine, 4-chloro-6,7-dihydro-. The molecular formula of this chemical is C6H6ClN3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 37.81Å2; (9)Index of Refraction: 1.592; (10)Molar Refractivity: 38.24 cm3; (11)Molar Volume: 112.9 cm3; (12)Polarizability: 15.15×10-24cm3; (13)Surface Tension: 57 dyne/cm; (14)Enthalpy of Vaporization: 55.29 kJ/mol; (15)Vapour Pressure: 0.000546 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1nc2c(c(n1)Cl)CCN2
(2)InChI: InChI=1/C6H6ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h3H,1-2H2,(H,8,9,10)
(3)InChIKey: LJXVPXRXXVHTBP-UHFFFAOYAX