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Name |
2-Oxazolamine,4,5-dihydro-5-phenyl- |
EINECS | N/A |
CAS No. | 2207-50-3 | Density | 1.26 g/cm3 |
PSA | 47.61000 | LogP | 1.20850 |
Solubility | 0.1 M HCl: soluble | Melting Point |
136-138° |
Formula | C9H10N2O | Boiling Point | 291.8 °C at 760 mmHg |
Molecular Weight | 162.191 | Flash Point | 130.3 °C |
Transport Information | UN 2811 6.1/PG 2 | Appearance | N/A |
Safety | 22-36/37/39-45 | Risk Codes | 26/27/28 |
Molecular Structure | Hazard Symbols | T+ | |
Synonyms |
2-Oxazoline,2-amino-5-phenyl- (7CI,8CI);2-Amino-5-phenyl-2-oxazoline;Aminorex;Aminoxafen;Aminoxaphen;Apiquel; |
Article Data | 2 |
The CAS register number of 2-Oxazolamine,4,5-dihydro-5-phenyl- is 2207-50-3. It also can be called as Aminoxaphen and the IUPAC name about this chemical is 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine. The molecular formula about this chemical is C9H10N2O and the molecular weight is 162.19.
Physical properties about 2-Oxazolamine,4,5-dihydro-5-phenyl- are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): -0.79; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.17; (7)ACD/KOC (pH 7.4): 14.38; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 24.83 Å2; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 45.27 cm3; (14)Molar Volume: 128.3 cm3; (15)Polarizability: 17.95x10-24cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.26 g/cm3; (18)Flash Point: 130.3 °C; (19)Enthalpy of Vaporization: 53.13 kJ/mol; (20)Boiling Point: 291.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00191 mmHg at 25 °C.
Uses of 2-Oxazolamine,4,5-dihydro-5-phenyl-: it can be used to produce 2,2,2-trifluoro-N-[2-(2,2,2-trifluoroacetyloxy)-2-phenylethyl]acetamide and bis-trifluoroacetyl-amine with trifluoroacetic acid anhydride. The reaction time is 2 hours with reaction temperature of 120 °C. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed and chemical that at very low levels causes damage to health. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C(\OC(c1ccccc1)C/2)N
(2)InChI: InChI=1/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
(3)InChIKey: SYAKTDIEAPMBAL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
(5)Std. InChIKey: SYAKTDIEAPMBAL-UHFFFAOYSA-N
The toxicity data are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 79mg/kg (79mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00933, | |
rabbit | LDLo | intravenous | 30mg/kg (30mg/kg) | Agents and Actions, A Swiss Journal of Pharmacology. Vol. 3, Pg. 28, 1973. |