3-Phenylisoxazole supplier | CasNO.1006-65-1

Name
3-Phenylisoxazole
EINECS
CAS No. 1006-65-1
Article Data48
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
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
Molecular Structure
Hazard Symbols
Synonyms 3-phenyl-1,2-oxazole
PSA 26.03000
LogP 2.34160

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

Product Name

3-Phenylisoxazole

3-Phenylisoxazole Specification

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