1H-Indole-2,3-dione,5-bromo-7-methyl- supplier

Name
5-BROMO-7-METHYL-1H-INDOLE-2,3-DIONE
EINECS
CAS No. 77395-10-9
Article Data8
CAS DataBase
Density 1.714 g/cm³
Solubility
Melting Point 262℃ (decomposition)
Formula C₉H₆BrNO₂
Boiling Point
Molecular Weight 240.056
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Isatin,5-bromo-7-methyl- (2CI);
PSA 46.17000
LogP 2.03030

1H-Indole-2,3-dione,5-bromo-7-methyl- Specification

The 1H-Indole-2,3-dione,5-bromo-7-methyl-, with the CAS registry number 77395-10-9, is also known as 5-Bromo-7-methylisatin. It belongs to the product category of Indane/Indanone and Derivatives. This chemical's molecular formula is C₉H₆BrNO₂ and molecular weight is 240.05. Its IUPAC name is called 5-bromo-7-methyl-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,5-bromo-7-methyl-: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.51; (6)ACD/BCF (pH 7.4): 12.96; (7)ACD/KOC (pH 5.5): 224.36; (8)ACD/KOC (pH 7.4): 215.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 49.93 cm³; (13)Molar Volume: 140 cm³; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.714 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=CC(=C1)Br)C(=O)C(=O)N2
(2)InChI: InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: NPRAKNSGKOICIE-UHFFFAOYSA-N

Product Name

5-BROMO-7-METHYL-1H-INDOLE-2,3-DIONE

1H-Indole-2,3-dione,5-bromo-7-methyl- Specification

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