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CAS No.: | 3586-12-7 |
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Name: | 3-PHENOXYANILINE |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C12H11NO |
Molecular Weight: | 185.225 |
Synonyms: | Aniline,m-phenoxy- (6CI,7CI,8CI);(3-Phenoxyphenyl)amine;3-(Phenyloxy)aniline;3-Aminodiphenyl ether;3-Phenoxyaniline;3-Phenoxybenzenamine;NSC 57083;m-Aminophenyl phenyl ether;m-Phenoxyaniline; |
EINECS: | 222-715-9 |
Density: | 1.158 g/cm3 |
Melting Point: | 41-44 °C(lit.) |
Boiling Point: | 329.5 °C at 760 mmHg |
Flash Point: | 152.2 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39 |
PSA: | 35.25000 |
LogP: | 3.64230 |
The Benzenamine, 3-phenoxy-, with the CAS registry number 3586-12-7, is also known as 3-Phenoxybenzenamine. It belongs to the product category of Anilines, Aromatic Amines and Nitro Compounds. Its EINECS number is 222-715-9. This chemical's molecular formula is C12H11NO and molecular weight is 185.22. What's more, its IUPAC name is 3-phenoxyaniline. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of Benzenamine, 3-phenoxy- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 35.25 Å2; (9)Index of Refraction: 1.618; (10)Molar Refractivity: 56.93 cm3; (11)Molar Volume: 162.3 cm3; (12)Surface Tension: 46.6 dyne/cm; (13)Density: 1.141 g/cm3; (14)Flash Point: 152.2 °C; (15)Enthalpy of Vaporization: 57.2 kJ/mol; (16)Boiling Point: 329.5 °C at 760 mmHg; (17)Vapour Pressure: 0.000177 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-diiodo-benzene, N-acetylmorpholine sodium enolate. This reaction will need reagent FeSO4 and solvent liquid ammonia. The yield is about 55%.
Uses of Benzenamine, 3-phenoxy-: it can be used to produce 1,1,1-trifluoro-3-(3-phenoxy-phenylamino)-propan-2-ol at the temperature of 100 °C. It will need solvent 1,2-dichloro-ethane with the reaction time of 18 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)N
(2)InChI: InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2
(3)InChIKey: UCSYVYFGMFODMY-UHFFFAOYSA-N