CAS No.57160-47-1,Chlorobenzuron Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57160-47-1
Name:	Chlorobenzuron
Article Data:	2

Formula:	C₁₄H₁₀Cl₂N₂O₂
Molecular Weight:	309.152
Synonyms:	Benzamide,2-chloro-N-[[(4-chlorophenyl)- amino]carbonyl]-;2-Chloro-N-(((4-chlorophenyl)amino)carbonyl)benzamide;2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide;Benzamide, 2-chloro-N-(((4-chlorophenyl)amino)carbonyl)-;
EINECS:	200-589-5
Density:	1.44g/cm³
PSA:	58.20000
LogP:	4.41920

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Specification

The Chlorobenzuron, with CAS registry number 57160-47-1, has the systematic name of 2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide. Besides this, it is also called Benzamide, 2-chloro-N-(((4-chlorophenyl)amino)carbonyl)-. And the chemical formula of this chemical is C₁₄H₁₀Cl₂N₂O₂.

Physical properties of Chlorobenzuron: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1699.09; (6)ACD/BCF (pH 7.4): 1649.39; (7)ACD/KOC (pH 5.5): 7140.67; (8)ACD/KOC (pH 7.4): 6931.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 78.87 cm³; (15)Molar Volume: 214.6 cm³; (16)Polarizability: 31.26×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.44 g/cm³.

Preparation: this chemical can be prepared by 4-chloro-aniline and S-(2-propenyl) N-(2-chlorobenzoyl)monothiocarbamate. This reaction will need reagent Et₃N and benzene. The reaction time is 2 hour(s). The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Cl)NC(=O)Nc2ccc(Cl)cc2
(2)InChI: InChI=1/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)
(3)InChIKey: YPSCQJTUAKNUNF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)
(5)Std. InChIKey: YPSCQJTUAKNUNF-UHFFFAOYSA-N