CAS No.626-36-8,ETHYL ALLOPHANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	626-36-8
Name:	ETHYL ALLOPHANATE
Article Data:	77

Formula:	C₄H₈N₂O₃
Molecular Weight:	132.119
Synonyms:	Allophanicacid, ethyl ester (6CI,7CI,8CI);Carbamic acid, (aminocarbonyl)-, ethyl ester(9CI);Ethyl allophanate;NSC 119864;NSC 272;Allophanic acid, ethyl ester;Carbamic acid, N-(aminocarbonyl)-, ethyl ester;Ethyl (aminocarbonyl)carbamate;
EINECS:	210-945-2
Density:	1.227 g/cm³
Melting Point:	184-189 °C
Boiling Point:	190-191℃
Appearance:	white to slightly yellow cryst. powder or needles
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	24/25
PSA:	81.42000
LogP:	0.90240

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Specification

The Carbamic acid,N-(aminocarbonyl)-, ethyl ester, with the CAS registry number 626-36-8, is also known as Ethyl allophanate. Its EINECS number is 210-945-2. This chemical's molecular formula is C₄H₈N₂O₃ and molecular weight is 265.31. What's more, its IUPAC name is ethyl N-carbamoylcarbamate. It should be stored at common pressure and temperature. What's more, it should be protected from strong oxidants. When using it, you should avoid contacting with skin and eyes.

Physical properties of Carbamic acid,N-(aminocarbonyl)-, ethyl ester are: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.62; (8)ACD/KOC (pH 7.4): 10.54; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 29.51 cm³; (15)Molar Volume: 107.6 cm³; (16)Polarizability: 11.7×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.227 g/cm³.

Preparation of Carbamic acid,N-(aminocarbonyl)-, ethyl ester: this chemical can be prepared by ethanol, isocyanato-trimethyl-silane at the temperature of 100 °C. The reaction time is 2 hours. It's a reaction of addition. The yield is about 57%.

Carbamic acid,N-(aminocarbonyl)-, ethyl ester can be prepared by ethanol, isocyanato-trimethyl-silane at the temperature of 100 °C

Uses of Carbamic acid,N-(aminocarbonyl)-, ethyl ester: it can be used to produce 2-anilino-3H-quinazolin-4-one by heating. It will need solvent dimethylformamide with the reaction time of 3 hours. The yield is about 63%.

Carbamic acid,N-(aminocarbonyl)-, ethyl ester can be used to produce 2-anilino-3H-quinazolin-4-one by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)NC(=O)N
(2)InChI: InChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)
(3)InChIKey: PIHPSKJRLDSJPX-UHFFFAOYSA-N