Name: 2-(2-CHLOROPHENYL)-1,3-OXAZOLE
SKU: 62881-98-5

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Basic Information

Molecular Structure:
CAS No.:	62881-98-5
Name:	2-(2-CHLOROPHENYL)-1,3-OXAZOLE
Article Data:	1

Formula:	C₉H₆ClNO
Molecular Weight:	179.6
Synonyms:	Oxazole, 2-(o-chlorophenyl)-(7CI);2-(2-Chlorophenyl)-1,3-oxazole;2-(2-Chlorophenyl)oxazole;
Density:	1.258 g/cm³
Boiling Point:	287 °C at 760 mmHg
Flash Point:	127.4 °C
PSA:	26.03000
LogP:	2.99500

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Specification

The Oxazole, 2-(2-chlorophenyl)-, with the CAS registry number 62881-98-5, is also known as 2-(2-Chlorophenyl)oxazole. This chemical's molecular formula is C₉H₆ClNO and molecular weight is 179.6. What's more, its systematic name is 2-(2-chlorophenyl)-1,3-oxazole.

Physical properties of Oxazole, 2-(2-chlorophenyl)- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.58; (6)ACD/BCF (pH 7.4): 49.58; (7)ACD/KOC (pH 5.5): 569; (8)ACD/KOC (pH 7.4): 569; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 46.13 cm³; (15)Molar Volume: 142.6 cm³; (16)Polarizability: 18.28×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 50.5 kJ/mol; (21)Boiling Point: 287 °C at 760 mmHg; (22)Vapour Pressure: 0.00441 mmHg at 25°C.

Preparation of Oxazole, 2-(2-chlorophenyl)-: this chemical can be prepared by 2-chloro-benzoyl chloride, 2-trimethylsilanyl-2H-[1,2,3]triazole at the temperature of 140 °C. This reaction will need solvent tetrahydrothiophene 1,1-dioxide with the reaction time of 3 hours. The yield is about 91%.

Oxazole, 2-(2-chlorophenyl)- can be prepared by 2-chloro-benzoyl chloride, 2-trimethylsilanyl-2H-[1,2,3]triazole at the temperature of 140 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c2ncco2
(2)InChI: InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H
(3)InChIKey: IWUACMRENZNWBB-UHFFFAOYSA-N