3,9-Dibromo-7H-benzo[de]anthracen-7-one

Basic Information

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CAS Number

81-98-1

Molecular Formula

C17H8Br2O

Molecular Weight

388.1 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

Melting Point

255~256℃

Boiling Point

535.5°C at 760 mmHg

Density

1.836

Flash Point

178.2°C

Refractive Index

1.762

Vapor Pressure

0.0±1.4 mmHg at 25°C

SMILES

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C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Br)Br

InChI

InChI=1S/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H

InChIKey

XBZKJGBIPSQKAU-UHFFFAOYSA-N

LogP

5.576200000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

410

Safety Information

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Hazard Statement

Synonyms & References

English

3,9-Dibrombenzanthrone
C17-H8-Br2-O
CS-0319398
DTXSID4058861
NSC-84191
NSC84191
3,9-Dibromobenzanthrone
6-Bz-1-dibrombenzanthron
7H-Benz[de]anthracen-7-one,9-dibromo-
AKOS000668571
EINECS 201-391-2
STK874295
3,9-Dibromo-7H-benz(de)anthracen-7-one
A840229
3,9-dibrom-7H-benz[de]anthracen-7-on
C17H8Br2O
6-Bz-1-Dibrombenzanthron [Czech]
2,7-Dibromomesobenzanthrone
AC-11222
WLN: L C6666 1A Q IVJ FE OE
Benzanthrone, 3,9-dibromo-
NSC 84191
7H-Benz(de)anthracen-7-one, 3,9-dibromo-
3,9-dibromo-7-benzo[b]phenalenone
3,9-dibromo-7H-benzo[de]anthracen-7-one
81-98-1
3-07-00-02708 (Beilstein Handbook Reference)
3,6-DIBROMO-7H-BENZ(DE)ANTHRACEN-7-ONE
3,9-dibromobenzo[b]phenalen-7-one
3,9-Dibromo-7H-benz[de]anthracen-7-one
SCHEMBL2800725

MDL Number

MFCD00021092

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1)?

3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) falls under the GHS classification system for hazardous chemicals. It is regulated under REACH in the EU, which requires registration, evaluation, and authorization of substances. In the USA, it is subject to FDA and EPA regulations for its use and disposal. Proper handling, storage, and disposal must comply with local and international environmental laws.

Are there alternatives to 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) in synthesis?

While 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) is a specific brominated compound, alternatives can include other halogenated or functionalized anthracenes. Common substitutes might involve isomers or analogs with different substituents, such as chlorinated or methylated versions, which can serve similar functions in organic synthesis.

What is the market or research trend for 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1)?

The market for 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) is primarily driven by its use in pharmaceuticals and materials science. Research trends focus on its potential applications in medicinal chemistry and organic electronics. However, due to its toxicity and environmental concerns, there is an increasing focus on developing safer alternatives and sustainable production methods.

How should waste containing 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) be handled?

Waste containing 3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS: 81-98-1) should be collected in appropriate containers and stored away from ignition sources. For disposal, incineration is recommended under controlled conditions to minimize environmental impact. Professional waste disposal services should be utilized to ensure compliance with regulations and environmental safety. Proper post-disposal documentation is essential for regulatory compliance.