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Carbamic acid,N-phenyl-,phenylmethyl ester

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Name

Carbamic acid,N-phenyl-,phenylmethyl ester

EINECS N/A
CAS No. 3422-02-4 Density 1.198 g/cm3
PSA 38.33000 LogP 3.50830
Solubility N/A Melting Point N/A
Formula C14H13NO2 Boiling Point 325.2 °C at 760 mmHg
Molecular Weight 227.263 Flash Point 150.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3422-02-4 (Phenylcarbamic acid phenylmethyl ester) Hazard Symbols N/A
Synonyms

Benzyl phenylcarbamate;Phenylcarbamic acid phenylmethyl ester;Benzyl N-phenylcarbamate;Carbamic acid,phenyl-,phenylmethyl ester;

Article Data 87

Carbamic acid,N-phenyl-,phenylmethyl ester 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 %.

The Carbamic acid,N-phenyl-,phenylmethyl ester can be obtained by Carbonochloridic acid benzyl ester and Aniline.

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.

Carbamic acid,N-phenyl-,phenylmethyl ester can be used to produce Benzaldehyde and Phenylmethanol.

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

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