1,6-Dichloroisoquinoline

Basic Information

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CAS Number

630421-73-7

Molecular Formula

C9H5Cl2N

Molecular Weight

198.05 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

Boiling Point

327.7°C at 760 mmHg

Density

1.407±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

182°C

Refractive Index

1.66

SMILES

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C1=CC2=C(C=CN=C2Cl)C=C1Cl

InChI

InChI=1S/C9H5Cl2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

InChIKey

JTCCQIDTKFGEQY-UHFFFAOYSA-N

LogP

3.5416000000000007

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

163

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

SCHEMBL1258573
1,6-dichloroisoquinoline
1,6-DICHLORO-ISOQUINOLINE
FT-0690917
EN300-397881
A834176
630421-73-7
AKOS006292351
DS-10865
DTXSID70635121
CL1048
CS-0005445
MFCD06738660
SY041621
AMY9266
JTCCQIDTKFGEQY-UHFFFAOYSA-N
AB27580
1,6-Dichloroisoquinoline
1,6-Dichloro-isoquinoline
Isoquinoline, 1,6-dichloro-
Isoquinoline,1,6-dichloro-
1,6-bis(chloranyl)isoquinoline
ST2408494
AB0025943
W7510
222146A

MDL Number

MFCD06738660

Customs Code

2933499090

FAQ

What is 1,6-Dichloroisoquinoline (CAS: 630421-73-7)?

1,6-Dichloroisoquinoline (CAS: 630421-73-7) is an organic compound with the chemical formula C9H5Cl2N. It is a yellow or orange crystalline solid with a characteristic odor. This compound is known for its aromatic nature and has been used in various applications including pharmaceuticals and research.

What are the main uses of 1,6-Dichloroisoquinoline (CAS: 630421-73-7)?

1,6-Dichloroisoquinoline (CAS: 630421-73-7) is primarily used in the synthesis of other organic compounds, particularly in pharmaceutical research. It serves as a valuable intermediate in the development of new drugs and as a reagent in organic chemistry.

Is 1,6-Dichloroisoquinoline (CAS: 630421-73-7) safe?

1,6-Dichloroisoquinoline (CAS: 630421-73-7) is generally not considered safe for unrestricted use. It is toxic and corrosive. Proper safety precautions, including the use of personal protective equipment and appropriate handling techniques, are necessary to prevent inhalation, ingestion, or skin contact.

How should 1,6-Dichloroisoquinoline (CAS: 630421-73-7) be stored?

1,6-Dichloroisoquinoline (CAS: 630421-73-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light from affecting its stability. Storage at room temperature is recommended, but avoid extreme temperatures to ensure safety and efficacy.