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3-Phenylisoxazole

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Name

3-Phenylisoxazole

EINECS N/A
CAS No. 1006-65-1 Density 1.11 g/cm3
PSA 26.03000 LogP 2.34160
Solubility N/A Melting Point N/A
Formula C9H7NO Boiling Point 279.6 °C at 760 mmHg
Molecular Weight 145.161 Flash Point 127.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1006-65-1 (3-Phenylisoxazole) Hazard Symbols N/A
Synonyms

3-phenyl-1,2-oxazole

Article Data 48

3-Phenylisoxazole Specification

The Isoxazole, 3-phenyl-, with the CAS registry number 1006-65-1, is also known as 3-Phenylisoxazole. This chemical's molecular formula is C9H7NO and molecular weight is 145.15798. Its IUPAC name is called 3-phenyl-1,2-oxazole.

Physical properties of Isoxazole, 3-phenyl-: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.68; (4)ACD/BCF (pH 5.5): 11.18; (5)ACD/BCF (pH 7.4): 11.18; (6)ACD/KOC (pH 5.5): 195.91; (7)ACD/KOC (pH 7.4): 195.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 41.23 cm3; (12)Molar Volume: 130.7 cm3; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.11 g/cm3; (15)Flash Point: 127.4 °C; (16)Enthalpy of Vaporization: 49.75 kJ/mol; (17)Boiling Point: 279.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00675 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NOC=C2
(2)InChI: InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
(3)InChIKey: ZBRDJMFLJXFIGJ-UHFFFAOYSA-N

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