4-Bromoisatin supplier | CasNO.20780-72-7

Name
4-BROMOISATIN
EINECS 640-250-3
CAS No. 20780-72-7
Article Data29
CAS DataBase
Density 1.826 g/cm³
Solubility
Melting Point 253-256 °C
Formula C₈H₄BrNO₂
Boiling Point
Molecular Weight 226.029
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-2,3-dione,4-bromo- (8CI);Isatin, 4-bromo- (6CI);4-Bromo-1H-indole-2,3-dione;4-Bromoindole-2,3-dione;AC1NBW3T;AC1Q24HW;ZINC02509229;
PSA 46.17000
LogP 1.72190

4-Bromoisatin Specification

The 4-Bromoisatin with CAS registry number of 20780-72-7 is also known as 1H-Indole-2,3-dione,4-bromo-. The IUPAC name is 4-Bromo-1H-indole-2,3-dione. It belongs to product categories of Halides; Indoline & Oxindole; Indoles; Simple Indoles; Fused Ring Systems. In addition, the formula is C₈H₄BrNO₂ and the molecular weight is 226.03.

Physical properties about 4-Bromoisatin are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.31; (4)ACD/BCF (pH 5.5): 6.04; (5)ACD/BCF (pH 7.4): 5.77; (6)ACD/KOC (pH 5.5): 126.08; (7)ACD/KOC (pH 7.4): 120.52; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 45.11 cm³; (12)Molar Volume: 123.7 cm³; (13)Surface Tension: 58.4 dyne/cm; (14)Density: 1.826 g/cm³.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1cccc2c1C(=O)C(=O)N2
2. InChI: InChI=1/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
3. InChIKey: ITRAKBJPMLKWIW-UHFFFAOYAT
4. Std. InChI: InChI=1S/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
5. Std. InChIKey: ITRAKBJPMLKWIW-UHFFFAOYSA-N

Product Name

4-BROMOISATIN

4-Bromoisatin Specification

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