10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Basic Information

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CAS Number

81-86-7

Molecular Formula

C12H5BrO3

Molecular Weight

277.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

218.0 to 224.0 deg-C

Boiling Point

467.2 oC at 760 mmHg

Density

1.812

Flash Point

236.3℃

Refractive Index

1.733

SMILES

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C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br

InChI

InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H

InChIKey

DTUOTSLAFJCQHN-UHFFFAOYSA-N

LogP

2.9129000000000005

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

341

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

6-bromo-1H,3H-naphtho[l,8-cd]pyran-1,3-dione
4-bromonaphthalene-1,8-dicarboxylic anhydride
4-Bromo-1,8-naphthalicanhydride
DTXSID0058857
PS-7243
4-Bromo-1,8-naphthalic anhydride, 95%
FT-0600735
MFCD00006927
4-Bromo-1,8-naphthalenedicarboxylic Anhydride
6-Bromo-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
A864489
8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
F0020-1844
CHEMBL2234776
C12H5BrO3
STL224022
6-Bromobenzo[de]isochromene-1,3-dione
AC-10946
SCHEMBL320954
BrNpA
C12-H5-Br-O3
4-Bromo-1,8-Naphthaltc anhydride
AQ-390/40838877
8-Bromo-3-oxatricyclo[7.3.1.0 5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
6-Bromo-1H,3H-benzo[de]isochromene-1,3-dione #
8-bromo-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
EINECS 201-382-3
4-Bromo 1,8 naphthalic anhydride
VU0489338-1
AKOS000436701
4-Bromo-1,8-naphthalic anhydride

MDL Number

MFCD00006927

Customs Code

2932999099

FAQ

What is 10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS: 81-86-7)?

10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS: 81-86-7) is a brominated organic compound with a complex polycyclic structure. It contains multiple double bonds and ketone groups, making it a versatile intermediate in organic synthesis. The compound is known for its reactivity and is often used in the development of pharmaceuticals and specialty chemicals.

What are the main uses of 10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS: 81-86-7)?

This compound is primarily used as an intermediate in the synthesis of various pharmaceuticals, particularly those targeting neurological and cardiovascular disorders. It also finds applications in chemical research for developing new materials and in industrial processes for creating specialty chemicals with specific functional groups.

Is 10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS: 81-86-7) safe?

Safety of 10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione depends on exposure conditions. It is generally considered safe in controlled laboratory settings when handled properly. However, as with many brominated compounds, it should be used with appropriate safety measures to avoid inhalation, skin contact, or ingestion. Always follow OSHA and EPA guidelines for chemical handling.

How should 10-bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS: 81-86-7) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed, airtight container at a temperature below 25°C. Due to its chemical reactivity, it should be stored in a non-reactive environment to maintain stability and prevent degradation.