2-Bromooxazole supplier | CasNO.125533-82-6

Name
Oxazole, 2-bromo- (9CI)
EINECS
CAS No. 125533-82-6
Article Data2
CAS DataBase
Density 1.812 g/cm³
Solubility
Melting Point
Formula C₃H₂BrNO
Boiling Point 166.198 °C at 760 mmHg
Molecular Weight 147.959
Flash Point 54.315 °C
Transport Information
Appearance Brown to grey crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-bromo-1,3-oxazole;
PSA 26.03000
LogP 1.43710

2-Bromooxazole Specification

The Oxazole, 2-bromo-, with the CAS registry number 125533-82-6, has the systematic name of 2-bromo-1,3-oxazole. It belongs to the product category of Halide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₃H₂BrNO.

The characteristics of Oxazole, 2-bromo- are as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 128; (8)ACD/KOC (pH 7.4): 128; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 24.334 cm³; (15)Molar Volume: 81.637 cm³; (16)Polarizability: 9.647×10^-24cm³; (17)Surface Tension: 40.464 dyne/cm; (18)Density: 1.812 g/cm³; (19)Flash Point: 54.315 °C; (20)Enthalpy of Vaporization: 38.612 kJ/mol; (21)Boiling Point: 166.198 °C at 760 mmHg; (22)Vapour Pressure: 2.377 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ncco1
(2)InChI: InChI=1/C3H2BrNO/c4-3-5-1-2-6-3/h1-2H
(3)InChIKey: YCHPNSOKVRTPES-UHFFFAOYAK

Product Name

Oxazole, 2-bromo- (9CI)

2-Bromooxazole Specification

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