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| CAS No.: | 6373-46-2 |
|---|---|
| Name: | 4-BENZYLOXYANILINE |
| Article Data: | 125 |
| Molecular Structure: | |
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| Formula: | C13H13NO |
| Molecular Weight: | 199.252 |
| Synonyms: | p-Benzyloxyaniline; |
| EINECS: | 228-917-3 |
| Density: | 1.129 g/cm3 |
| Melting Point: | 54-55 °C |
| Boiling Point: | 357.7 °C at 760 mmHg |
| Flash Point: | 180.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 35.25000 |
| LogP: | 3.42900 |
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Specification
The 4-Benzyloxyanaline, with the CAS registry number of 6373-46-2, is also known as p-Benzyloxyaniline. Its EINECS registry number is 228-917-3. This chemical's molecular formula is C13H13NO and molecular weight is 199.25. What's more, its IUPAC name is 4-Phenylmethoxyaniline.
Physical properties about the 4-Benzyloxyanaline are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 26.87; (6)ACD/BCF (pH 7.4): 39.02; (7)ACD/KOC (pH 5.5): 329.53; (8)ACD/KOC (pH 7.4): 478.54; (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)Surface Tension: 47 dyne/cm; (17)Density: 1.129 g/cm3; (18)Flash Point: 180.4 °C; (19)Enthalpy of Vaporization: 60.31 kJ/mol; (20)Boiling Point: 357.7 °C at 760 mmHg; (21)Vapour Pressure: 2.68E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by Benzyl-(4-nitro-phenyl)-ether at heating. The reaction needs reagent Hydrazine hydrate, catalyst Raney Ni and solvent Methanol. The reaction time is 10 min. The yield is about 40 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 4-(p-Benzyloxyphenyl)aminoquinazoline at heating. This reaction needs solvent Benzene. The reaction time is 8 hours. The yield is about 86 %.
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You can still convert the following datas into molecular structure:
(1) SMILES:O(c1ccc(cc1)N)Cc2ccccc2
(2) InChI:InChI=1/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2
(3) InChIKey:FIIDVVUUWRJXLF-UHFFFAOYAS
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01381, |