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Ethyl methyl(phenyl)carbamate

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Name

Ethyl methyl(phenyl)carbamate

EINECS 220-065-0
CAS No. 2621-79-6 Density 1.093 g/cm3
PSA 29.54000 LogP 2.27930
Solubility N/A Melting Point 242-244 °C
Formula C10H13NO2 Boiling Point 243.5 °C at 760 mmHg
Molecular Weight 179.219 Flash Point 104 °C
Transport Information 2810 Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2621-79-6 (N-METHYL-N-PHENYLURETHANE) Hazard Symbols HarmfulXn
Synonyms

Carbamicacid, methylphenyl-, ethyl ester (9CI);Carbanilic acid, N-methyl-, ethyl ester(6CI,7CI,8CI);Ethyl N-methyl-N-phenylcarbamate;Ethyl N-methylcarbanilate;Ethyl methylphenylcarbamate;NSC 65608;

Article Data 19

Ethyl methyl(phenyl)carbamate Specification

This chemical is called Ethyl methyl(phenyl)carbamate, and it can also be named as Carbamic acid, methylphenyl-, ethyl ester. With the molecular formula of C10H13NO2, its molecular weight is 179.22. The CAS registry number of this chemical is 2621-79-6. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Ethyl methyl(phenyl)carbamate can be summarised as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.58; (6)ACD/BCF (pH 7.4): 57.58; (7)ACD/KOC (pH 5.5): 633.32; (8)ACD/KOC (pH 7.4): 633.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 51.6 cm3; (15)Molar Volume: 163.9 cm3; (16)Polarizability: 20.45×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 104 °C; (20)Enthalpy of Vaporization: 48.05 kJ/mol; (21)Boiling Point: 243.5 °C at 760 mmHg; (22)Vapour Pressure: 0.032 mmHg at 25°C.

Production method of this chemical: The Ethyl methyl(phenyl)carbamate could be obtained by the reactants of ethanol; sodium salt and 2-(N-methylanilino)-2-phenylthioacetonitrile. This reaction needs the reagents of CuI, O2. The yield is 64 %. In addition, this reaction should be taken for 12 hours at the ambient temperature.

Uses of this chemical: The N,N'-dimethyl-N,N'-diphenyl-oxalamide could be obtained by the reactant of Ethyl methyl(phenyl)carbamate. This reaction needs the reagent of Na, and the solvent of benzene. The yield is 58 %. This reaction should be taken for 1 hour with the heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(OCC)N(c1ccccc1)C
2.InChI: InChI=1/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
3.InChIKey: QHGZFCAIXRVHID-UHFFFAOYAF

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