Basic Information | Post buying leads | Suppliers |
Name |
Isoxazole,4-bromo-5-methyl- |
EINECS | N/A |
CAS No. | 7064-37-1 | Density | 1.654 g/cm3 |
PSA | 26.03000 | LogP | 1.74550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4BrNO | Boiling Point | 200.315 °C at 760 mmHg |
Molecular Weight | 161.986 | Flash Point | 74.948 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-5-methylisoxazole; |
The Isoxazole, 4-bromo-5-methyl-, with the CAS registry number of 7064-37-1, is also known as 4-Bromo-5-methylisoxazole. It belongs to the product category of Oxazole. This chemical's molecular formula is C4H4BrNO and molecular weight is 161.986. What's more, its systematic name is called 4-Bromo-5-methyl-1, 2-oxazole.
Physical properties about Isoxazole, 4-bromo-5-methyl- are: (1)ACD/LogP: 1.12; (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): 123; (8)ACD/KOC (pH 7.4): 123; (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: 1.507; (14)Molar Refractivity: 29.159 cm3; (15)Molar Volume: 97.912 cm3; (16)Surface Tension: 38.278 dyne/cm; (17)Density: 1.654 g/cm3; (18)Flash Point: 74.948 °C; (19)Enthalpy of Vaporization: 41.868 kJ/mol; (20)Boiling Point: 200.315 °C at 760 mmHg; (21)Vapour Pressure: 0.462 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1oncc1Br
(2) InChI: InChI=1/C4H4BrNO/c1-3-4(5)2-6-7-3/h2H,1H3
(3) InChIKey: SBDZMDRGAWHCNX-UHFFFAOYAX