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CAS No.: | 1008-95-3 |
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Name: | 4-(1,3-OXAZOL-5-YL)ANILINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H8N2O |
Molecular Weight: | 160.175 |
Synonyms: | 5-(4-Aminophenyl)oxazole; |
Density: | 1.204 g/cm3 |
Melting Point: | 150 °C |
Boiling Point: | 318.7 °C at 760 mmHg |
Flash Point: | 146.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 52.05000 |
LogP: | 2.50500 |
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The Benzenamine,4-(5-oxazolyl)-, with the CAS registry number of 1008-95-3, is also known as 5-(4-Aminophenyl)oxazole. It belongs to the product categories of Amines and Anilines; Heterocycles; Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its systematic name is 4-(1,3-Oxazol-5-yl)aniline.
Physical properties about the Benzenamine,4-(5-oxazolyl)- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.89; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 54.73; (8)ACD/KOC (pH 7.4): 55.21; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 45.47 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.204 g/cm3; (18)Flash Point: 146.5 °C; (19)Enthalpy of Vaporization: 56.02 kJ/mol; (20)Boiling Point: 318.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000356 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(oc1)c2ccc(N)cc2
(2) InChI: InChI=1/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
(3) InChIKey: SLJBMRSOKUTXDF-UHFFFAOYAN