CAS No.20780-74-9,7-BROMO-1H-INDOLE-2,3-DIONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	20780-74-9
Name:	7-BROMO-1H-INDOLE-2,3-DIONE
Article Data:	2

Formula:	C₈H₄BrNO₂
Molecular Weight:	226.029
Synonyms:	Indole-2,3-dione,7-bromo- (8CI);Isatin, 7-bromo- (6CI);7-Bromo-1H-indole-2,3-dione;7-Bromo-2,3-dioxoindoline;7-Bromoindole-2,3-dione;7-Bromoindoline-2,3-dione;
EINECS:	625-256-6
Density:	1.826 g/cm³
Melting Point:	191-198 °C
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41
Safety:	26-39

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Specification

The 1H-Indole-2,3-dione,7-bromo- with CAS registry number of 20780-74-9 is also known as 7-Bromoisatin. The IUPAC name is 7-Bromo-1H-indole-2,3-dione. It belongs to product categories of Heterocycles; Indane/Indanone and Derivatives; Pharmaceutical intermediate. In addition, the formula is C₈H₄BrNO₂and the molecular weight is 226.03.

Physical properties about 1H-Indole-2,3-dione,7-bromo- are: (1)XLogP3: 1.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Tautomer Count: 5; (5)Exact Mass: 224.942541; (6)MonoIsotopic Mass: 224.942541; (7)Topological Polar Surface Area: 46.2; (8)Heavy Atom Count: 12; (9)Complexity: 241; (10)Covalently-Bonded Unit Count: 1.

Preparation of 1H-Indole-2,3-dione,7-bromo-: it is prepared by reaction of trichloroacetaldehyde with 2-bromo-aniline. The reaction needs reagents NH₂OH*HCl and H₂SO₄. The yield is about 82%.

1H-Indole-2,3-dione,7-bromo- is prepared by reaction of trichloroacetaldehyde with 2-bromo-aniline.

Uses of 1H-Indole-2,3-dione,7-bromo-: it is used to produce 2-amino-3-bromo-benzoic acid methyl ester. The reaction occurs with reagents NaOMe, H₂O₂ and solvents methanol, H₂O at ambient temperature. The yield is about 60%.

1H-Indole-2,3-dione,7-bromo- is used to produce 2-amino-3-bromo-benzoic acid methyl ester.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to respiratory system, skin and it also has risk of serious damage to eyes. What's more, this chemical is harmful if swallowed. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O
2. InChI: InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
3. InChIKey: OCVKSIWBTJCXPV-UHFFFAOYSA-N