7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone

Basic Information

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CAS Number

166978-46-7

Molecular Formula

C12H13BrO

Molecular Weight

253.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

325.6°Cat760mmHg

Density

1.351

Flash Point

68.2°C

Refractive Index

1.556

SMILES

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CC1(CCC(=O)C2=C1C=CC(=C2)Br)C

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

InChIKey

QZSBQGIPLDEDIX-UHFFFAOYSA-N

LogP

3.7032000000000025

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

247

Synonyms & References

English

7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene
3,4-dihydro-4,4-dimethyl-7-bromo-1(2H)-naphthalenone
7-bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone
7-Bromo-3,4-dihydro-4.4-dimethylnaphthalen-1(2H)-one
SY162445
AS-871/43475689
7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
3.4-dihydro-4,4-dimethyl-7-bromo-1(2H)-naphthalenone
7-bromo-3,4-dihydro-4,4-dimethylnaphthalen-l-one
3,4-dihydro-4,4-dimethyl-7-bromo-1-(2H)-naphthalenone
A849767
7-BROMO-4,4-DIMETHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
NS-03795
7-BROMO-4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
AMY202100036
7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one
7-Bromo-3,4-dihydro-4,4-dimethyl-naphthalen-1(2H)-one
CS-0093967
SCHEMBL445935
EN300-176532
3,4-dihydro-4,4-dimethyl-7-bromo-1 (2h)-naphthalenone
AKOS015948217
3,4-dihydro- 4,4-dimethyl-7- bromo-1(2H)-naphthalenone
7-Bromo-4,4-dimethyl-1-tetralone
7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1 (2H)-one
DTXSID80444448
7-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1-one
MFCD07357378
4,4-Dimethyl-7-bromo-1-tetralone
7-Bromo--3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one
1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl-

MDL Number

MFCD07357378

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone (CAS: 166978-46-7)?

7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone is a crystalline solid with a molecular weight of approximately 249.04 g/mol. It is sparingly soluble in water and has good solubility in organic solvents like acetonitrile and dichloromethane. This compound exhibits moderate reactivity, especially towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases to avoid degradation.

How is 7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone (CAS: 166978-46-7) typically synthesized?

7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone is typically synthesized through a bromination reaction of 4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone. This involves treating the starting material with bromine in the presence of a suitable base like sodium hydroxide. The reaction yields a 90% purity product with good selectivity and moderate yield. Various conditions and catalysts can be used to optimize the reaction conditions.

What industries use 7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone (CAS: 166978-46-7)?

7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone finds applications in the pharmaceutical industry for the synthesis of derivatives with potential medicinal properties. It is also used in the development of sensors and semiconductors due to its unique electronic properties. Additionally, it is of interest in polymer chemistry for the modification of polymer structures.

What precautions should be taken when handling 7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone (CAS: 166978-46-7)?

When handling 7-Bromo-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone, it is important to wear appropriate personal protective equipment (PPE) including gloves, lab coat, and eye protection. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, neutralize the spill with an appropriate cleaning agent and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.