Oxazole,5-(2-chlorophenyl)- supplier

Name
5-(2-CHLOROPHENYL)OXAZOLE
EINECS
CAS No. 89808-74-2
Article Data3
CAS DataBase
Density 1.258g/cm³
Solubility
Melting Point 33-35°C
Formula C₉H₆ClNO
Boiling Point 274.7 °C at 760 mmHg
Molecular Weight 179.606
Flash Point 120 °C
Transport Information
Appearance
Safety 45
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(o-Chlorophenyl)oxazole;
PSA 26.03000
LogP 2.99500

Oxazole,5-(2-chlorophenyl)- Specification

The Oxazole,5-(2-chlorophenyl)-, with CAS registry number 89808-74-2, has the systematic name of 5-(2-chlorophenyl)-1,3-oxazole. This chemical belongs to the following product categories: (1)Halides; (2)Phenyls & Phenyl-Het; (3)Oxazole & Isoxazole. And the chemical formula of this chemical is C₉H₆ClNO.

Physical properties of Oxazole,5-(2-chlorophenyl)-: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.33; (6)ACD/BCF (pH 7.4): 36.33; (7)ACD/KOC (pH 5.5): 455.46; (8)ACD/KOC (pH 7.4): 455.46; (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)Enthalpy of Vaporization: 49.25 kJ/mol; (19)Vapour Pressure: 0.0089 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c2ocnc2
(2)InChI: InChI=1/C9H6ClNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
(3)InChIKey: DMZJGPXZLVUMIN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
(5)Std. InChIKey: DMZJGPXZLVUMIN-UHFFFAOYSA-N

Product Name

5-(2-CHLOROPHENYL)OXAZOLE

Oxazole,5-(2-chlorophenyl)- Specification

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