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Name |
4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine |
EINECS | N/A |
CAS No. | 16372-08-0 | Density | 1.377 g/cm3 |
PSA | 41.57000 | LogP | 1.61130 |
Solubility | N/A | Melting Point |
158.5-160 °C |
Formula | C6H6ClN3 | Boiling Point | 311.9 °C at 760 mmHg |
Molecular Weight | 155.587 | Flash Point | 142.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5H-pyrrolo[2,3-d]pyrimidine, 4-chloro-6,7-dihydro-; |
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