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CAS No.: | 14331-51-2 |
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Name: | Pyrimidine, 4-chloro-2-ethyl- (8CI,9CI) |
Molecular Structure: | |
Formula: | C6H7ClN2 |
Molecular Weight: | 142.588 |
Synonyms: | Pyrimidine, 4-chloro-2-ethyl- (8CI,9CI);4-CHLORO-2-ETHYLPYRIMIDINE |
Density: | 1.182 g/cm3 |
Boiling Point: | 187.771 °C at 760 mmHg |
Flash Point: | 84.028 °C |
PSA: | 25.78000 |
LogP: | 1.69240 |
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The chemical with CAS registry number of 14331-51-2 is known as Pyrimidine,4-chloro-2-ethyl-. The systematic name is 4-Chloro-2-ethyl-pyrimidine. It belongs to product categories of Pyrimidine. In addition, the formula is C6H7ClN2 and the molecular weight is 142.59.
Physical properties about Pyrimidine,4-chloro-2-ethyl- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.528; (3)ACD/LogD (pH 7.4): 1.528; (4)ACD/BCF (pH 5.5): 8.532; (5)ACD/BCF (pH 7.4): 8.533; (6)ACD/KOC (pH 5.5): 161.467; (7)ACD/KOC (pH 7.4): 161.469; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 36.88 cm3; (12)Molar Volume: 120.649 cm3; (13)Surface Tension: 42.492 dyne/cm; (14)Density: 1.182 g/cm3; (15)Flash Point: 84.028 °C; (16)Enthalpy of Vaporization: 40.662 kJ/mol; (17)Boiling Point: 187.771 °C at 760 mmHg; (18)Vapour Pressure: 0.854 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: CCc1nccc(n1)Cl
2. InChI: InChI=1/C6H7ClN2/c1-2-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
3. InChIKey: ZPSYDWVKMBOSCI-UHFFFAOYAM
4. Std. InChI: InChI=1S/C6H7ClN2/c1-2-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
5. Std. InChIKey: ZPSYDWVKMBOSCI-UHFFFAOYSA-N