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1H-Indole-2,3-dione,4-chloro-7-methyl-

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Name

1H-Indole-2,3-dione,4-chloro-7-methyl-

EINECS
CAS No. 61258-72-8 Density 1.44 g/cm3
Solubility Melting Point
Formula C9H6ClNO2 Boiling Point
Molecular Weight 195.60244 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 61258-72-8 (1H-Indole-2,3-dione,4-chloro-7-methyl-) Hazard Symbols
Synonyms

4-Chloro-7-methyl-1H-indole-2,3-dione;4-Chloro-7-methylisatin;

 

1H-Indole-2,3-dione,4-chloro-7-methyl- Specification

The 1H-Indole-2,3-dione,4-chloro-7-methyl-, with the CAS registry number 61258-72-8, is also known as 4-Chlor-7-methyl-1H-indol-2,3-dion. It belongs to the product category of Isatin Series. This chemical's molecular formula is C9H6ClNO2 and molecular weight is 195.60244. Its IUPAC name is called 4-chloro-7-methyl-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,4-chloro-7-methyl-: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.92; (5)ACD/BCF (pH 7.4): 9.84; (6)ACD/KOC (pH 5.5): 179.9; (7)ACD/KOC (pH 7.4): 178.37; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.611; (11)Molar Refractivity: 47.14 cm3; (12)Molar Volume: 135.7 cm3; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.44 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2
(2)InChI: InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: MWCJCUFHPFXQLS-UHFFFAOYSA-N

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