-
Name
4-Bromoisoxazole
- EINECS
- CAS No. 97925-43-4
- Article Data3
- CAS DataBase
- Density 1.812 g/cm3
- Solubility
- Melting Point 38-43℃
- Formula C3H2BrNO
- Boiling Point 182.7 °C at 760 mmHg
- Molecular Weight 147.959
- Flash Point 64.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Isoxazole, 4-bromo- (6CI,9CI);isoxazole, 4-bromo-;4-bromo-1,2-oxazole;
- PSA 26.03000
- LogP 1.43710
4-Bromoisoxazole Specification
The 4-Bromoisoxazole, with the CAS registry number 97925-43-4, has the IUPAC name of 4-bromo-1,2-oxazole. It is a kind of irritant chemical, and belongs to the following product categories: Halide; Halogenated; Isoxazole; Organohalides. And the molecular formula of this chemical is C3H2BrNO.
The physical properties of 4-Bromoisoxazole are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.03 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 24.33 cm3; (9)Molar Volume: 81.6 cm3; (10)Polarizability: 9.64×10-24cm3; (11)Surface Tension: 40.4 dyne/cm; (12)Density: 1.812 g/cm3; (13)Flash Point: 64.3 °C; (14)Enthalpy of Vaporization: 40.17 kJ/mol; (15)Boiling Point: 182.7 °C at 760 mmHg; (16)Vapour Pressure: 1.09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1conc1
(2)InChI: InChI=1/C3H2BrNO/c4-3-1-5-6-2-3/h1-2H
(3)InChIKey: IRDVIGFQMLUJAM-UHFFFAOYAD
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