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3-(Benzyloxy)aniline

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Name

3-(Benzyloxy)aniline

EINECS 216-056-6
CAS No. 1484-26-0 Density 1.129 g/cm3
PSA 35.25000 LogP 3.42900
Solubility N/A Melting Point 63-67 °C(lit.)
Formula C13H13NO Boiling Point 362.6 °C at 760 mmHg
Molecular Weight 199.252 Flash Point 184.4 °C
Transport Information N/A Appearance Beige to tan powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1484-26-0 (3-BENZYLOXYANILINE) Hazard Symbols IrritantXi
Synonyms

3-(Benzyloxy)phenylamine;3-(Phenylmethoxy)aniline;3-Aminophenyl benzyl ether;m-(Benzyloxy)aniline;m-Aminophenyl benzyl ether;

Article Data 43

3-(Benzyloxy)aniline Specification

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.

Benzenamine,3-(phenylmethoxy)- can be prepared by 3-azidophenyl benzyl ether. The other product is 3-amino-phenol

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%.

Benzenamine,3-(phenylmethoxy)- can be used to produce 5-benzyloxy-2-bromoaniline

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

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