-
Name
5-PHENYLISOXAZOLE
- EINECS
- CAS No. 1006-67-3
- Article Data35
- CAS DataBase
- Density 1.11 g/cm3
- Solubility
- Melting Point 22°C(lit.)
- Formula C9H7NO
- Boiling Point 279.6 °C at 760 mmHg
- Molecular Weight 145.161
- Flash Point 127.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 5-Phenylisoxazole;NSC 195338;
- PSA 26.03000
- LogP 2.34160
Isoxazole, 5-phenyl- Specification
The Isoxazole, 5-phenyl- is an organic compound with the formula C9H7NO. The IUPAC name of this chemical is 5-phenyl-1,2-oxazole. With the CAS registry number 1006-67-3, it is also named as 1-(Isoxazol-5-yl)benzene.
Physical properties about Isoxazole, 5-phenyl- are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 41.79; (5)ACD/BCF (pH 7.4): 41.79; (6)ACD/KOC (pH 5.5): 503.52; (7)ACD/KOC (pH 7.4): 503.52; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 41.23 cm3; (13)Molar Volume: 130.7 cm3; (14)Polarizability: 16.34×10-24cm3; (15)Surface Tension: 39.9 dyne/cm; (16)Density: 1.11 g/cm3; (17)Flash Point: 127.4 °C; (18)Enthalpy of Vaporization: 49.75 kJ/mol; (19)Boiling Point: 279.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00675 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-dimethylamino-1-phenyl-propenone. This reaction will need reagent methanol, NH2OH+HCl.
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Uses of Isoxazole, 5-phenyl-: it can be used to produce 2-tert-butyl-5-phenyl-isoxazolium; perchlorate. It will need reagent HClO4 and solvent CH2Cl2. The yield is about 90%.
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You can still convert the following datas into molecular structure:
(1)SMILES: n2oc(c1ccccc1)cc2
(2)InChI: InChI=1/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
(3)InChIKey: BXQDLEHCXQQSCH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
(5)Std. InChIKey: BXQDLEHCXQQSCH-UHFFFAOYSA-N
Related Products
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