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Cas Database |
| Name |
5-Isoxazolamine,4-bromo-3-methyl- |
EINECS | N/A |
| CAS No. | 33084-49-0 | Density | 1.767 g/cm3 |
| PSA | 52.05000 | LogP | 1.90890 |
| Solubility | N/A | Melting Point |
66-71°C |
| Formula | C4H5BrN2O | Boiling Point | 273.538 °C at 760 mmHg |
| Molecular Weight | 177 | Flash Point | 119.232 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Isoxazole, 5-amino-4-bromo-3-methyl-(8CI);5-Amino-4-bromo-3-methylisoxazole;4-bromo-3-methyl-1,2-oxazol-5-amine;4-Bromo-3-methyl-5-isoxazolamine;4-Bromo-3-methylisoxazol-5-ylamine; |
Article Data | 15 |
5-Isoxazolamine,4-bromo-3-methyl- Specification
The 5-Isoxazolamine,4-bromo-3-methyl-, with the CAS registry number 33084-49-0, is also known as 5-Amino-4-bromo-3-methylisoxazole. The IUPAC name is 4-bromo-3-methyl-1,2-oxazol-5-amine. In addition, the formula is C4H5BrN2O and the molecular weight is 176.9993.
Physical properties about 5-Isoxazolamine,4-bromo-3-methyl- are: (1)ACD/LogP: 1.54; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 114; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 33.395 cm3; (15)Molar Volume: 100.192 cm3; (16)Polarizability: 13.239 ×10-24cm3; (17)Surface Tension: 52.251 dyne/cm; (18)Density: 1.767 g/cm3; (19)Flash Point: 119.232 °C; (20)Enthalpy of Vaporization: 51.188 kJ/mol; (21)Boiling Point: 273.538 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(onc1C)N
(2)InChI: InChI=1/C4H5BrN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3
(3)InChIKey: XCYKKCVEVOZFIL-UHFFFAOYAF
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