4-Bromo-1-methoxyisoquinoline

Basic Information

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CAS Number

746668-73-5

Molecular Formula

C10H8BrNO

Molecular Weight

238.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data avaiable

Melting Point

53-55℃ (ethanol )

Boiling Point

315.6±22.0 °C(Predicted)

Density

1.516±0.06 g/cm3(Predicted)

Flash Point

144.6±22.3 °C

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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COC1=NC=C(C2=CC=CC=C21)Br

InChI

InChI=1S/C10H8BrNO/c1-13-10-8-5-3-2-4-7(8)9(11)6-12-10/h2-6H,1H3

InChIKey

BQMVHRXGXCDQEW-UHFFFAOYSA-N

LogP

3.0059000000000013

pKa

0.99±0.20(Predicted)

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

176

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

EN300-333361
BQMVHRXGXCDQEW-UHFFFAOYSA-N
Z1269213686
SY067301
SCHEMBL1239659
746668-73-5
DTXSID70647224
AKOS015835848
4-BROMO-1-METHOXY-ISOQUINOLINE
Isoquinoline, 4-bromo-1-methoxy-
CS-W020680
AM20061482
FT-0649511
SB38550
MFCD09999134
DS-0346
4-Bromo-1-methoxyisoquinoline
4-BROMO-1-METHOXYISOQUINOLINE
1-Methoxy-4-broMoisoquinoline
1-Methoxy-4-bromoisoquinoline
4-Bromo-1-methoxy-isoquinoline
Isoquinoline,4-bromo-1-methoxy-
AB0026536
ST2411135
W8225
Z1741974257

MDL Number

MFCD09999134

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5)?

4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) falls under the GHS classification system, which requires flammability and health warnings. For synthesis and commercial use, it must comply with REACH regulations in the European Union, FDA guidelines in the United States, and EPA regulations in terms of environmental impact and handling. Proper labeling and reporting of this compound are mandatory to ensure safety and legal compliance.

Are there alternatives to 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) in synthesis?

There are several alternatives to 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) in synthesis, including 4-Iodo-1-methoxyisoquinoline and 4-Chloro-1-methoxyisoquinoline. These compounds can be used as functional equivalents in various chemical reactions due to their similar structural features. Common alternative reagents include various brominating agents, such as N-bromosuccinimide (NBS) or N-iodosuccinimide (NIS), which can be used to modify the bromine content in the molecule.

What is the market or research trend for 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5)?

The market for 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) is growing due to its increasing use in pharmaceutical research, particularly in the development of anti-inflammatory and anticonvulsant drugs. Research trends indicate a focus on its biological activity and potential therapeutic applications. The market is expected to continue expanding as new applications are discovered, driven by ongoing pharmaceutical and chemical research.

How should waste containing 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) be handled?

Waste containing 4-Bromo-1-methoxyisoquinoline (CAS: 746668-73-5) should be collected in appropriate, labeled containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring complete destruction of the compound. Environmental protection precautions include ensuring that no waste is released into the environment and that all disposal processes comply with local and international environmental regulations. Proper documentation and reporting are necessary to ensure legal and environmental compliance.