4-Bromo-5-methylisatin supplier

Name
4-Bromo-5-methyl-2,3-indolinedione
EINECS 687-910-7
CAS No. 147149-84-6
Article Data4
CAS DataBase
Density 1.714 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO₂
Boiling Point
Molecular Weight 240.056
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22-52
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-5-methyl-2,3-indolinedione;4-Bromo-5-methyl-1H-indole-2,3-dione;Indole-2,3(2H,3H)-dione, 4-bromo-5-methyl-;Indoline-2,3-dione, 4-bromo-5-methyl-;AC1LD31X;AC1Q2D5N;
PSA 46.17000
LogP 2.03030

4-Bromo-5-methylisatin Specification

The 4-Bromo-5-methylisatin with CAS registry number of 147149-84-6 is also known as 1H-Indole-2,3-dione,4-bromo-5-methyl-. The IUPAC name and product name are the same. It belongs to product categories of Indane/Indanone and Derivatives. In addition, the formula is C₉H₆BrNO₂ and the molecular weight is 240.05. This chemical can be used as a reagent which is used in the production of nolatrexed dihydrochloride.

Physical properties about 4-Bromo-5-methylisatin are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 13.52; (5)ACD/BCF (pH 7.4): 13.43; (6)ACD/KOC (pH 5.5): 224.46; (7)ACD/KOC (pH 7.4): 222.94; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.631; (11)Molar Refractivity: 49.93 cm³; (12)Molar Volume: 140 cm³; (13)Surface Tension: 54.4 dyne/cm; (14)Density: 1.714 g/cm³.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1c(ccc2c1C(=O)C(=O)N2)C
2. InChI: InChI=1/C9H6BrNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
3. InChIKey: DKAVQCARZCYRIS-UHFFFAOYAW
4. Std. InChI: InChI=1S/C9H6BrNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
5. Std. InChIKey: DKAVQCARZCYRIS-UHFFFAOYSA-N

Product Name

4-Bromo-5-methyl-2,3-indolinedione

4-Bromo-5-methylisatin Specification

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