CAS No.60706-07-2,4-CHLORO-7-METHOXY ISATIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60706-07-2
Name:	4-CHLORO-7-METHOXY ISATIN

Formula:	C₉H₆ClNO₃
Molecular Weight:	211.60
Synonyms:	4-Chloro-7-methoxyisatin;
Density:	1.474 g/cm³
PSA:	55.40000
LogP:	1.62140

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Specification

This chemical is called 1H-Indole-2,3-dione,4-chloro-7-methoxy-, and its IUPAC name is 4-chloro-7-methoxy-1H-indole-2,3-dione. With the molecular formula of C₉H₆ClNO₃, its molecular weight is 211.60. The CAS registry number of this chemical is 60706-07-2.

Other characteristics of the 1H-Indole-2,3-dione,4-chloro-7-methoxy- can be summarised as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.35; (6)ACD/BCF (pH 7.4): 4.2; (7)ACD/KOC (pH 5.5): 99.64; (8)ACD/KOC (pH 7.4): 96.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 48.99 cm³; (15)Molar Volume: 143.5 cm³; (16)Polarizability: 19.42×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.474 g/cm³.

Uses of this chemical: The 1H-Indole-2,3-dione,4-chloro-7-methoxy- could react with indole-2,3-dione, and obtain the 4-chloro-3-hydroxy-7-methoxy-3-(2-oxo-propyl)-1,3-dihydro-indol-2-one. This reaction needs the reagent of diethylamine. The yield is 50 %. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: COc2ccc(Cl)c1c2NC(=O)C1=O
2.InChI: InChI=1/C9H6ClNO3/c1-14-5-3-2-4(10)6-7(5)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
3.InChIKey: VZPMNHWRRJFLFO-UHFFFAOYAE