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Name |
Isoxazole,4-(bromomethyl)- |
EINECS | N/A |
CAS No. | 6455-40-9 | Density | 1.706 g/cm3 |
PSA | 26.03000 | LogP | 1.56950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4BrNO | Boiling Point | 214.2 °C at 760 mmHg |
Molecular Weight | 161.986 | Flash Point | 83.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-(Bromomethyl)isoxazole; |
Article Data | 2 |
The Isoxazole,4-(bromomethyl)-, with the CAS registry number 6455-40-9, is also known as 4-(Bromomethyl)isoxazole. It belongs to the product category of Oxazole. This chemical's molecular formula is C4H4BrNO and molecular weight is 161.9847. Its systematic name is called 4-(bromomethyl)-1,2-oxazole.
Physical properties of Isoxazole,4-(bromomethyl)-: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 2.31; (5)ACD/BCF (pH 7.4): 2.31; (6)ACD/KOC (pH 5.5): 63.35; (7)ACD/KOC (pH 7.4): 63.35; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.529; (11)Molar Refractivity: 29.29 cm3; (12)Molar Volume: 94.9 cm3; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.706 g/cm3; (15)Flash Point: 83.3 °C; (16)Enthalpy of Vaporization: 43.22 kJ/mol; (17)Boiling Point: 214.2 °C at 760 mmHg; (18)Vapour Pressure: 0.23 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1conc1
(2)InChI: InChI=1/C4H4BrNO/c5-1-4-2-6-7-3-4/h2-3H,1H2
(3)InChIKey: BTMCLIBWYKFYNQ-UHFFFAOYAH