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CAS No.: | 83942-13-6 |
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Name: | 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H7ClN2 |
Molecular Weight: | 154.599 |
Synonyms: | 4-Chloro-5H,6H,7H-cyclopenta[d]pyrimidine; |
Density: | 1.322 g/cm3 |
Melting Point: | 196-197 °C |
Boiling Point: | 271.7 °C at 760 mmHg |
Flash Point: | 144.3 °C |
PSA: | 25.78000 |
LogP: | 1.61870 |
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The IUPAC name of this chemical is 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine. With the CAS registry number 83942-13-6, it is also named as 4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine. In addition, the molecular formula is C7H7ClN2 and the molecular weight is 154.60. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.54; (5)ACD/BCF (pH 7.4): 9.54; (6)ACD/KOC (pH 5.5): 174.85; (7)ACD/KOC (pH 7.4): 174.86; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 39.5 cm3; (12)Molar Volume: 116.9 cm3; (13)Polarizability: 15.66 ×10-24cm3; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.322 g/cm3; (16)Flash Point: 144.3 °C; (17)Enthalpy of Vaporization: 48.94 kJ/mol; (18)Boiling Point: 271.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2CCCc12
(2)InChI: InChI=1/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2
(3)InChIKey: QFBRTAZCGKXPJK-UHFFFAOYAP