CAS Registry Number: 15115-60-3

Name:

1H-​Inden-​1-​one, 4-​bromo-​2,​3-​dihydro-
1-​Indanone, 4-​bromo- (6CI,​8CI); 4-​Bromo-​1-​indanone; 4-​Bromo-​2,​3-​dihydro-​1H-​inden-​1-​one; NSC 162080 

Chemical Formula: C9H7BrO
Exact Mass: 209.97
Molecular Weight: 211.06
m/z: 209.97 (100.0%), 211.97 (97.9%), 210.97 (9.9%), 212.97 (9.6%)

InChI: InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey: UVVYFYLSZIMKMC-UHFFFAOYSA-N
Canonical SMILES : C1CC(=O)C2=C1C(=CC=C2)Br

Specification

98%

1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
2. (2) Faller, Pierre; Bulletin de la Societe Chimique de France 1966, (11), P3618-25 CAPLUS
3. (3) Adamczyk, Maciej; Journal of Organic Chemistry 1984, V49(22), P4226-37 CAPLUS
4. (4) de Corral, Carlos; Rev. real acad. cienc. exact., fis. y nat. Madrid 1957, V51, P103-38 CAPLUS
5. (5) Luh, Tien-Yau; Journal of Organic Chemistry 1979, V44(4), P641-2 CAPLUS
6. (6) Nakazaki, Masao; Bulletin of the Chemical Society of Japan 1961, V34, P1189-94 CAPLUS