CAS No.13558-70-8,Methyl chloroacetylcarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13558-70-8
Name:	Methyl chloroacetylcarbamate
Article Data:	10

Formula:	C₄H₆ClNO₃
Molecular Weight:	151.55
Synonyms:	Methyl (chloroacetyl)carbamate;Methyl N-(chloroacetyl)carbamate;Methyl N-(2-chloroacetyl)carbamate;Methyl N-chloroacetylcarbamate;Methyl (2-chloroacetyl)carbamate;
Density:	1.313 g/cm³
Melting Point:	149-151 °C
Hazard Symbols:	R34:Causes burns.;
Risk Codes:	R34
PSA:	55.40000
LogP:	0.49870

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Specification

The Methyl chloroacetylcarbamate, with the CAS registry number of 13558-70-8, is also known as Methyl N-(chloroacetyl)carbamate. The molecular formula of this chemical is C₄H₆ClNO₃ and its molecular weight is 151.55. What's more, its IUPAC name is Methyl N-(2-chloroacetyl)carbamate.

Physical properties about Methyl chloroacetylcarbamate are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.66; (8)ACD/KOC (pH 7.4): 5.74; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 30.82 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 12.22×10^-24 cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.313 g/cm³.

Uses of Methyl chloroacetylcarbamate: it is used to produce other chemicals. For example, it can react with Thiazol-2-ylamine to produce Methyl N-(2-iminothiazolyn-3-ylacetyl)carbamate. The reaction needs solvent Hexamethylphosphoric acid triamide. The reaction time is 2 hours with reaction temperature of 100 °C. The yield is about 48 %.

Methyl chloroacetylcarbamate can be used to produce Methyl N-(2-iminothiazolyn-3-ylacetyl)carbamate.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)NC(=O)OC
(2) InChI: InChI=1/C4H6ClNO3/c1-9-4(8)6-3(7)2-5/h2H2,1H3,(H,6,7,8)
(3) InChIKey: SYWSERLZKPGKDI-UHFFFAOYAU