N-PHENYLCARBAMIC ACID METHYL ESTER

The Carbamic acid,N-phenyl-,methyl ester, with the CAS registry number of 2603-10-3, is also known as Methyl phenylurethane. Its EINECS registry number is 220-014-2. The molecular formula of this chemical is C₈H₉NO₂ and its molecular weight is 151.16. What's more, its IUPAC name is Methyl N-phenylcarbamate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Carbamic acid,N-phenyl-,methyl ester are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.01; (6)ACD/BCF (pH 7.4): 13.01; (7)ACD/KOC (pH 5.5): 218.35; (8)ACD/KOC (pH 7.4): 218.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 42.26 cm³; (15)Molar Volume: 128.8 cm³; (16)Polarizability: 16.75×10^-24 cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.172 g/cm³; (19)Flash Point: 66.5 °C; (20)Enthalpy of Vaporization: 42.26 kJ/mol; (21)Boiling Point: 186.4 °C at 760 mmHg; (22)Vapour Pressure: 0.664 mmHg at 25 °C.

Preparation of Carbamic acid,N-phenyl-,methyl ester: this chemical is prepared by reaction of Isocyanatobenzene with Methanol in the condition of heating. The reaction needs solvent CCl₄.

Uses of Carbamic acid,N-phenyl-,methyl ester: it is used to produce other chemicals. For example, it is used to produce Isocyanatobenzene. This reaction needs reagent Phosphorus pentachloride. The reaction time is 3 hours with reaction temperature of 120 - 140 °C. The yield is about 68 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)Nc1ccccc1
(2) InChI: InChI=1/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
(3) InChIKey: IAGUPODHENSJEZ-UHFFFAOYAX