Oxazole,5-(4-bromophenyl)- supplier

Name
5-(4-BROMOPHENYL)-1,3-OXAZOLE
EINECS
CAS No. 72571-06-3
Article Data16
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point 78-80°C
Formula C₉H₆BrNO
Boiling Point 315.8 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 144.8 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 5-(4-Bromophenyl)-1,3-oxazole;5-(4-Bromophenyl)oxazole;5-(p-Bromophenyl)oxazole;5-(4-bromophenyl)-1,3-oxazole;Oxazole, 5-(4-bromophenyl)-;
PSA 26.03000
LogP 3.10410

Oxazole,5-(4-bromophenyl)- Specification

The Oxazole,5-(4-bromophenyl)-, with the CAS registry number 72571-06-3, has the systematic name of 5-(4-bromophenyl)-1,3-oxazole. It belongs to the product categories of Halides and Heterocycles. And the molecular formula of the chemical is C₉H₆BrNO.

The characteristics of Oxazole,5-(4-bromophenyl)- are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.56; (6)ACD/BCF (pH 7.4): 76.56; (7)ACD/KOC (pH 5.5): 776.59; (8)ACD/KOC (pH 7.4): 776.59; (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: 1.58; (14)Molar Refractivity: 48.92 cm³; (15)Molar Volume: 146.9 cm³; (16)Polarizability: 19.39×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.524 g/cm³; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 53.48 kJ/mol; (21)Boiling Point: 315.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000794 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(c1ocnc1)cc2
(2)InChI: InChI=1/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
(3)InChIKey: FEBCQOHEPVLTLY-UHFFFAOYAF

Product Name

5-(4-BROMOPHENYL)-1,3-OXAZOLE

Oxazole,5-(4-bromophenyl)- Specification

Related Products

Hot Products