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| CAS No.: | 3422-02-4 |
|---|---|
| Name: | Phenylcarbamic acid phenylmethyl ester |
| Article Data: | 87 |
| Molecular Structure: | |
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| Formula: | C14H13NO2 |
| Molecular Weight: | 227.263 |
| Synonyms: | Benzyl phenylcarbamate;Phenylcarbamic acid phenylmethyl ester;Benzyl N-phenylcarbamate;Carbamic acid,phenyl-,phenylmethyl ester; |
| Density: | 1.198 g/cm3 |
| Boiling Point: | 325.2 °C at 760 mmHg |
| Flash Point: | 150.5 °C |
| PSA: | 38.33000 |
| LogP: | 3.50830 |
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Specification
The Carbamic acid,N-phenyl-,phenylmethyl ester, with the CAS registry number of 3422-02-4, is also known as Phenylcarbamic acid phenylmethyl ester. The molecular formula of this chemical is C14H13NO2 and its molecular weight is 227.25852. What's more, its IUPAC name is Benzyl N-phenylcarbamate.
Physical properties about Carbamic acid,N-phenyl-,phenylmethyl ester are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 107.39; (6)ACD/BCF (pH 7.4): 107.39; (7)ACD/KOC (pH 5.5): 989.37; (8)ACD/KOC (pH 7.4): 989.38; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 66.75 cm3; (15)Molar Volume: 189.5 cm3; (16)Polarizability: 26.46×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 150.5 °C; (20)Enthalpy of Vaporization: 56.73 kJ/mol; (21)Boiling Point: 325.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000234 mmHg at 25 °C.
Preparation of Carbamic acid,N-phenyl-,phenylmethyl ester: this chemical is prepared by reaction of Carbonochloridic acid benzyl ester with Aniline. The reaction needs reagent NaH and solvent Dimethylformamide. The reaction time is 18 hours with reaction temperature of 20 °C. The yield is about 55 %.
Uses of Carbamic acid,N-phenyl-,phenylmethyl ester: it is used to produce other chemicals. For example, it is used to produce Benzaldehyde and Phenylmethanol by heating. The reaction time is 15 hours. The yield is about 32.5 %. The reaction type is decomposition.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)Nc2ccccc2
(2) InChI: InChI=1/C14H13NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
(3) InChIKey: SGZWYNUJLMTSMJ-UHFFFAOYAH