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13558-78-6

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Basic Information
CAS No.: 13558-78-6
Name: 2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 13558-78-6 (2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDE)
Formula: C10H11ClN2O3
Molecular Weight: 242.662
Synonyms: 2-Chloro-N-{[(4-methoxyphenyl)amino]carbonyl}acetamide;
Density: 1.345 g/cm3
PSA: 70.92000
LogP: 2.49540
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  • 2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide

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    2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide

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  • 2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDE

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    2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 1-(2-chloroacetyl)-3-(4-methoxyphenyl)urea

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    1-(2-chloroacetyl)-3-(4-methoxyphenyl)urea

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    Mature technology, stable product Package:10g.100g.1kg.10kg Application:Biological agents, pharmaceutical intermediates Transportation:Seal freeze-dried preservation

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Specification

The 2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide, with the CAS registry number 13558-78-6, is also known as 2-Chloro-N-{[(4-methoxyphenyl)amino]carbonyl}acetamide. This chemical's molecular formula is C10H11ClN2O3 and molecular weight is 242.6589. What's more, its IUPAC name is 2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide.

Physical properties about 2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.3; (6)ACD/BCF (pH 7.4): 12.86; (7)ACD/KOC (pH 5.5): 221.85; (8)ACD/KOC (pH 7.4): 214.51; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 60.3 cm3; (15)Molar Volume: 180.3 cm3; (16)Polarizability: 23.9×10-24 cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.345 g/cm3.

Uses of 2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide: it is used to produce other chemicals. For example, it is used to produce o-Tolyl-dithiocarbamic acid 2-[3-(4-methoxy-phenyl)-ureido]-2-oxo-ethyl ester by heating. The reaction needs solvents H2O and Acetone. The yield is about 74 %.

2-Chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide can react with o-Tolyl-dithiocarbamic acid; ammonium salt to get o-Tolyl-dithiocarbamic acid 2-[3-(4-methoxy-phenyl)-ureido]-2-oxo-ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)NC(=O)Nc1ccc(OC)cc1
(2) InChI: InChI=1/C10H11ClN2O3/c1-16-8-4-2-7(3-5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
(3) InChIKey: ODWKXORLQVYKOE-UHFFFAOYAU