CAS No.2621-79-6,N-METHYL-N-PHENYLURETHANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2621-79-6
Name:	N-METHYL-N-PHENYLURETHANE
Article Data:	19

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
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;
EINECS:	220-065-0
Density:	1.093 g/cm³
Melting Point:	242-244 °C
Boiling Point:	243.5 °C at 760 mmHg
Flash Point:	104 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-37/39
Transport Information:	2810
PSA:	29.54000
LogP:	2.27930

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- China (Mainland)(27)
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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