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Name |
6-Bromobenzo[d]isoxazol-3-amine |
EINECS | N/A |
CAS No. | 177995-39-0 | Density | 1.805g/cm3 |
PSA | 52.05000 | LogP | 2.75370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5 Br N2 O | Boiling Point | 371.101°C at 760 mmHg |
Molecular Weight | 213.033 | Flash Point | 178.236°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Amino-6-bromo-1,2-benzisoxazole;6-Bromobenzo[d]isoxazol-3-amine |
Article Data | 11 |
Molecular Structure of 6-Bromobenzo[d]isoxazol-3-amine (CAS NO.177995-39-0):
Systematic Name: 6-Bromo-1,2-benzisoxazol-3-amine
SMILES: Brc2ccc1c(onc1N)c2
InChI: InChI=1/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKey: CNLHHYURQCSYLB-UHFFFAOYAG
Empirical Formula: C7H5BrN2O
Molecular Weight: 213.0314
Nominal Mass: 212
Average Mass: 213.0314
Monoisotopic Mass: 211.958518
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Index of Refraction: 1.716
Molar Refractivity: 46.413 cm3
Molar Volume: 118.033 cm3
Surface Tension: 65.326 dyne/cm
Density: 1.805 g/cm3
Flash Point: 178.236 °C
Enthalpy of Vaporization: 61.808 kJ/mol
Boiling Point: 371.101 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
6-Bromobenzo[d]isoxazol-3-amine (CAS NO.177995-39-0), its Synonyms are 1,2-Benzisoxazol-3-amine, 6-bromo- ; 6-Bromo-1,2-benzoxazol-3-amine .