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CAS Number: 166978-46-7
7-bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one

Structure

7-bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Name: 7-bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Synonyms:
General Information
Product Number: 166978467

CAS Registry Number 166978-46-7
Name:
1(2H)​-​Naphthalenone, 7-​bromo-​3,​4-​dihydro-​4,​4-​dimethyl-
7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one
7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene
7-Bromo-4,4-dimethyl-1-tetralone
7-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one
7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1-one

 

Chemical Formula: C12H13BrO
Exact Mass: 252.01
Molecular Weight: 253.14
m/z: 252.01 (100.0%), 254.01 (97.3%), 253.02 (13.2%), 255.02 (12.8%), 254.02 (1.0%)

 

InChI:InChI=1S/C12H13BrO/c1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6H2,1-2H3

InChI Key:QZSBQGIPLDEDIX-UHFFFAOYSA-N

Canonical SMILES:CC1(CCC(=O)C2=C1C=CC(=C2)Br)C

 

Thermal Properties Value Condition Note
Melting Point 56-57 °C   (2)CAS
Melting Point 47-49 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Alvarez, Susana; ChemMedChem 2009, V4(10), P1630-1640 CAPLUS
  2. (2) Endo, Yasuyuki; Journal of Medicinal Chemistry 1998, V41(9), P1476-1496 CAPLUS
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