Products Categories
| CAS No.: | 65399-05-5 |
|---|---|
| Name: | 5-Aminophthalide |
| Article Data: | 13 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7NO2 |
| Molecular Weight: | 149.149 |
| Synonyms: | Phthalide,5-amino- (6CI);1-Oxo-1,3-dihydroisobenzofuran-5-amine;5-Amino-2-benzofuran-1(3H)-one;5-Aminoisobenzofuran-1(3H)-one;5-Amino-3H-isobenzofuran-1-one; |
| EINECS: | 265-731-1 |
| Density: | 1.377 g/cm3 |
| Melting Point: | 178 °C |
| Boiling Point: | 438.573 °C at 760 mmHg |
| Flash Point: | 261.77 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 52.32000 |
| LogP: | 1.52040 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
The 5-Aminophthalide, with the CAS registry number 65399-05-5, is also known as 5-Amino-3H-isobenzofuran-1-one. It belongs to the product category of Phthalides. Its EINECS number is 265-731-1. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.15. What's more, its systematic name is 5-Amino-2-benzofuran-1(3H)-one.
Physical properties of 5-Aminophthalide are: (1)ACD/LogP: 0.207; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.85; (8)ACD/KOC (pH 7.4): 30.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 39.787 cm3; (15)Molar Volume: 108.346 cm3; (16)Polarizability: 15.773×10-24cm3; (17)Surface Tension: 63.55 dyne/cm; (18)Density: 1.377 g/cm3; (19)Flash Point: 261.77 °C; (20)Enthalpy of Vaporization: 69.538 kJ/mol; (21)Boiling Point: 438.573 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-amino-isoindole-1,3-dione at the temperature of 70 - 80 °C. This reaction will need reagents NaOH, Zn, CuSO4 and solvent H2O. The yield is about 100%.
Uses of 5-Aminophthalide: it can be used to produce 5-dimethylamino-3H-isobenzofuran-1-one at the temperature of 125 - 135 °C. The reaction time is 1 hour. The yield is about 44.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCc2cc(ccc12)N
(2)Std. InChI: InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2
(3)Std. InChIKey: ISMUWQMUWFPFBZ-UHFFFAOYSA-N