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CAS No.: | 1484-26-0 |
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Name: | 3-BENZYLOXYANILINE |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | 3-(Benzyloxy)phenylamine;3-(Phenylmethoxy)aniline;3-Aminophenyl benzyl ether;m-(Benzyloxy)aniline;m-Aminophenyl benzyl ether; |
EINECS: | 216-056-6 |
Density: | 1.129 g/cm3 |
Melting Point: | 63-67 °C(lit.) |
Boiling Point: | 362.6 °C at 760 mmHg |
Flash Point: | 184.4 °C |
Appearance: | Beige to tan powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 35.25000 |
LogP: | 3.42900 |
The CAS registry number of Benzenamine,3-(phenylmethoxy)- is 1484-26-0. The IUPAC name is 3-phenylmethoxyaniline. Its EINECS registry number is 216-056-6. In addition, the molecular formula is C13H13NO and the molecular weight is 199.25. It is a kind of beige to tan powder and belongs to the classes of Anilines, Aromatic Amines and Nitro Compounds; Amines; C11 to C38; Nitrogen Compounds. And it should be stored in a cool, ventilated and dry place.
Physical properties of Benzenamine,3-(phenylmethoxy)-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 43.91; (6)ACD/BCF (pH 7.4): 45.93; (7)ACD/KOC (pH 5.5): 514.93; (8)ACD/KOC (pH 7.4): 538.58; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 61.65 cm3; (15)Molar Volume: 176.4 cm3; (16)Polarizability: 24.44×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 60.86 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-05 mmHg at 25°C.
Preparation of Benzenamine,3-(phenylmethoxy)-: it can be prepared by 3-azidophenyl benzyl ether. The other product is 3-amino-phenol.This reaction will need reagent TFSA and solvent trifluoroacetic acid. The yield is about 71.4% at reaction temperature of 0 °C.
Uses of Benzenamine,3-(phenylmethoxy)-: it can be used to produce 5-benzyloxy-2-bromoaniline. This reaction will need reagents N-bromosuccinimide and H2SO4 and solvent tetrahydrofuran. The reaction time is 10 hours with reaction temperature of -78 ℃. The yield is about 42%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Whenever you use it, please wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(c1)N)Cc2ccccc2
(2)InChI: InChI=1/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
(3)InChIKey: IGPFOKFDBICQMC-UHFFFAOYAU