| Identification | More | [Name]
5-AMINO-3-PHENYLISOXAZOLE | [CAS]
4369-55-5 | [Synonyms]
3-PHENYL-5-ISOXAZOLAMINE
3-PHENYLISOXAZOL-5-AMINE
3-PHENYL-ISOXAZOL-5-YLAMINE
3-PHENYLISOXAZOLE-5-AMINE
5-AMINO-3-PHENYLISOXAZOLE
AKOS B029446
OTAVA-BB BB7020410006
SALOR-INT L482897-1EA
5-Isoxazolamine,3-phenyl-(9CI)
5-Amino-3-phenylisoxazole ,97% | [Molecular Formula]
C9H8N2O | [MDL Number]
MFCD00464114 | [Molecular Weight]
160.17 | [MOL File]
4369-55-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
110-114 °C(lit.) | [Boiling point ]
379.3±30.0 °C(Predicted) | [density ]
1.204±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
-1.69±0.10(Predicted) | [color ]
Orange | [Detection Methods]
HPLC | [InChI]
1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 | [InChIKey]
HLOHVVZZMMMDMM-UHFFFAOYSA-N | [SMILES]
Nc1cc(no1)-c2ccccc2 | [CAS DataBase Reference]
4369-55-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
24/25 | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Synthesis]
GENERAL METHOD: Benzoylacetonitrile (100 mmol) was added to 15% aqueous sodium hydroxide solution (100 mL) followed by hydroxylamine (200 mmol). The reaction mixture was heated to reflux for 14 h. After cooling to room temperature, the resulting precipitate was separated by filtration and recrystallized with isopropanol. | [References]
[1] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 6, p. 1914 - 1925
[2] Organic Letters, 2017, vol. 19, # 4, p. 934 - 937
[3] Organic Letters, 2018, vol. 20, # 9, p. 2774 - 2777
[4] Journal of Medicinal Chemistry, 2012, vol. 55, # 3, p. 1082 - 1105
[5] Patent: EP1813606, 2007, A1. Location in patent: Page/Page column 81 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 18918157536; |
| Website: |
http://www.energy-chemical.com |
|