8-Bromoisoquinoline

Basic Information

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CAS Number

63927-22-0

Molecular Formula

C9H6BrN

Molecular Weight

208.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

76.0 to 80.0 deg-C

Boiling Point

312.3℃ at 760 mmHg

Density

1.564

Flash Point

142.7 °C

Refractive Index

1.59

SMILES

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C1=CC2=C(C=NC=C2)C(=C1)Br

InChI

InChI=1S/C9H6BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H

InChIKey

DPRIHFQFWWCIGY-UHFFFAOYSA-N

LogP

2.9973

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

138

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

FT-0687342
D-Lactosyl fluoride
MB03403
8-Bromo-isoquinoline
Isoquinoline, 8-bromo-
Z1269224644
AKOS005254361
8-Bromoisoquinoline
DTXSID40431935
SCHEMBL197053
FT-0602289
PD020359
FS-2228
A8788
8-Bromoisoquinoline, AldrichCPR
EN300-102396
HY-69089
J-519404
J-803028
B4144
63927-22-0
DPRIHFQFWWCIGY-UHFFFAOYSA-N
BCP26269
SY020013
AM20061400
MFCD04973298
CS-B0667
AC-1503
8-BROMO-ISOQUINOLINE
PubChem6213
Isoquinoline,8-bromo-

MDL Number

MFCD04973298

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 8-Bromoisoquinoline (CAS: 63927-22-0)?

8-Bromoisoquinoline (CAS: 63927-22-0) falls under the regulation of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and may be subject to reporting and classification requirements under the REACH regulation in the European Union. The FDA and EPA may also have additional labeling and reporting requirements for this compound due to its use in pharmaceuticals and chemicals.

Are there alternatives to 8-Bromoisoquinoline (CAS: 63927-22-0) in synthesis?

There are alternative reagents that can be used in the synthesis of 8-bromoisoquinoline, such as 8-nitroisoquinoline followed by reduction and bromination. Other analogs like 9-bromoisoquinoline can also be considered, depending on the specific application and desired properties of the compound.

What is the market or research trend for 8-Bromoisoquinoline (CAS: 63927-22-0)?

The market for 8-bromoisoquinoline (CAS: 63927-22-0) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends are focusing on its use as an intermediate in the synthesis of various bioactive compounds. Additionally, there is increasing interest in its potential as a ligand in coordination chemistry and catalysis.

How should waste containing 8-Bromoisoquinoline (CAS: 63927-22-0) be handled?

Waste containing 8-bromoisoquinoline (CAS: 63927-22-0) should be collected in appropriate containers and stored separately from other chemicals. Incineration is a common method for disposing of this waste, but it must be done in a properly licensed facility. Environmental protection measures should include careful handling to prevent spillage and ensure safety during transport and disposal.