Products Categories
| CAS No.: | 5558-78-1 |
|---|---|
| Name: | ALPHA-PROPYLPHENYLACETONITRILE |
| Article Data: | 26 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H13N |
| Molecular Weight: | 159.231 |
| Synonyms: | Valeronitrile,2-phenyl-(6CI,7CI,8CI);2-Phenylpentanenitrile;2-Phenylvaleronitrile;Phenylpropylacetonitrile;a-Phenylpentanoic acid nitrile;a-Propylbenzeneacetonitrile; |
| Density: | 0.959 g/cm3 |
| Boiling Point: | 255.2 °C at 760 mmHg |
| Flash Point: | 112.7 °C |
| PSA: | 23.79000 |
| LogP: | 3.09388 |
- 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
- Total:6 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The CAS registry number of Benzeneacetonitrile, a-propyl- is 5558-78-1. The IUPAC name is 2-phenylpentanenitrile. In addition, the molecular formula is C11H13N and the molecular weight is 159.23. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.86; (4)ACD/BCF (pH 5.5): 87.68; (5)ACD/BCF (pH 7.4): 87.68; (6)ACD/KOC (pH 5.5): 855.73; (7)ACD/KOC (pH 7.4): 855.73; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 49.61 cm3; (13)Molar Volume: 165.9 cm3; (14)Polarizability: 19.66 ×10-24cm3; (15)Surface Tension: 37.3 dyne/cm; (16)Density: 0.959 g/cm3; (17)Flash Point: 112.7 °C; (18)Enthalpy of Vaporization: 49.26 kJ/mol; (19)Boiling Point: 255.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0165 mmHg at 25°C.
Preparation of Benzeneacetonitrile, a-propyl-: it can be prepared by phenylacetonitrile and 1-iodo-propane. This reaction will need reagent NaNH2 and solvents benzene and toluene. The reaction time is 1 hour at reaction temperature of 80 °C. The yield is about 86%.
Uses of Benzeneacetonitrile, a-propyl-: it can react with acrylonitrile to get 2-phenyl-2-propyl-pentanedinitrile. This reaction will need reagent trimethylbenzylammoniumhydroxide (Triton B) and solvents dioxane and methanol. The reaction time is 15 hours by heating. The yield is about 30%.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c1ccccc1)CCC
(2)InChI: InChI=1/C11H13N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3
(3)InChIKey: VIUPTAFHLRBHBO-UHFFFAOYAH