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| CAS No.: | 136773-69-8 |
|---|---|
| Name: | 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H6ClFN2 |
| Molecular Weight: | 220.633 |
| Synonyms: | 4-CHLORO-7-FLUOROPYRROLO[1,2-A]QUINOXALINE;4-Chloro-7-fluoro-pyrrolo[1,2-α]quinoxaline;4-Chloro-7-fluoropyrrolo[1,2-α]quinoxaline |
| Density: | 1.45 g/cm3 |
| Boiling Point: | 309.8 °C at 760 mmHg |
| Flash Point: | 141.2 °C |
| PSA: | 17.30000 |
| LogP: | 3.28000 |
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- Total:12 Page 1 of 1 1
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Specification
The 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline has CAS registry number 136773-69-8. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Intermediates; Nucleotides. Its molecular formula is C11H6ClFN2 and molecular weight is 220.6301432. What's more, its systematic name is 4-Chloro-7-fluoro-pyrrolo[1,2-a]quinoxaline.
Physical properties about the 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 17.3 Å2; (9)Index of Refraction: 1.675; (10)Molar Refractivity: 57.07 cm3; (11)Molar Volume: 151.8 cm3; (12)Surface Tension: 46.9 dyne/cm; (13)Density: 1.45 g/cm3; (14)Flash Point: 141.2 °C; (15)Enthalpy of Vaporization: 55.06 kJ/mol; (16)Boiling Point: 309.8 °C at 760 mmHg; (17)Vapour Pressure: 0.000625 mmHg at 25 °C.
Preparation: this chemical can be obtained by 7-Fluoro-5H-pyrrolo[1,2-a]quinoxalin-4-one. The reaction needs reagent POCl3. The reaction time is 3.5 h with reaction temperature of 130 °C. The yield is about 87 %.
![The 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline can be obtained by 7-Fluoro-5H-pyrrolo[1,2-a]quinoxalin-4-one](/UserFilesUpload/Preparation of 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline.png)
Uses: it is used to produce other chemicals. For example, it is used to produce 7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxaline. The reaction time is 6 h with reaction temperature of 130 °C. The yield is about 87 %.
![The 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline can react with 1-Methyl-piperazine to get 7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxaline](/UserFilesUpload/Uses of 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline.png)
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(nc3cc(ccc3n2c1)F)Cl
(2) InChI: InChI=1/C11H6ClFN2/c12-11-10-2-1-5-15(10)9-4-3-7(13)6-8(9)14-11/h1-6H
(3) InChIKey: NONXBGJFBUNSAD-UHFFFAOYAU