6-Bromo-5-nitroisoquinoline

Basic Information

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CAS Number

850197-72-7

Molecular Formula

C9H5BrN2O2

Molecular Weight

253.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

356.1°C at 760 mmHg

Density

1.747

Flash Point

169.2°C

Refractive Index

1.707

SMILES

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[O-][N+](=O)c1c(Br)ccc2cnccc12

InChI

InChI=1S/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H

InChIKey

COTVYJVDXKFNRB-UHFFFAOYSA-N

LogP

3.42870

Complexity

231

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-Bromo-5-nitroisoquinoline
6-BROMO-5-NITRO-ISOQUINOLINE
Isoquinoline,6-bromo-5-nitro-
6-bromanyl-5-nitro-isoquinoline
VQ10293
FCH1386692
ST2418897
AX8007173
AB0027000
W8775
A841055

MDL Number

MFCD08282782

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7)?

6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in Europe, and requirements by the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA). Specific handling, storage, and disposal procedures must comply with these guidelines.

Are there alternatives to 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) in synthesis?

There are alternatives to 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) in synthesis, such as 6-nitro-5-iodoisoquinoline, 6-bromo-5-methoxyisoquinoline, and 6-bromo-5-chloroisoquinoline. These analogs can offer similar chemical properties but with different functional groups, making them suitable for alternative pathways.

What is the market or research trend for 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7)?

The market for 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) is growing due to its potential applications in pharmaceuticals and agrochemicals. Research trends indicate increased interest in its use as an intermediate in drug synthesis and as a novel fungicide, driven by its unique chemical properties and the demand for innovative compounds in these fields.

How should waste containing 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) be handled?

Waste containing 6-Bromo-5-nitroisoquinoline (CAS: 850197-72-7) should be collected in appropriate containers and handled according to safety protocols. Incineration is a common method for disposal, provided it is conducted in a controlled environment to minimize environmental impact. Additionally, professional waste disposal services should be consulted to ensure compliance with local regulations and to safely manage the waste.