1,3-dichloroisoquinoline

Basic Information

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CAS Number

7742-73-6

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

Physical State

White to Yellow Solid

Melting Point

120.0 to 124.0 deg-C

Boiling Point

307°C

Flash Point

182.6℃

SMILES

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C1=CC=C2C(=C1)C=C(N=C2Cl)Cl

InChI

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

InChIKey

BRGZEQXWZWBPJH-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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GHS Hazard Pictograms

H315

H319

H335

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

BP-12423
FT-0602168
AC-7548
D4285
NSC-170843
NSC170843
isoquinoline, 1,3-dichloro-
1,3-Dichloroisoquinoline, 97%
InChI=1/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5
AMY1810
CL1001
1,3-Dichloro-isoquinoline
AC-907/25014223
HY-W002162
SY007666
1,3-dichloroisoquinoline
SCHEMBL165745
NSC 170843
DTXSID20305468
PB17073
AKOS001208897
CS-W002162
Z164708538
MFCD00034750
BRGZEQXWZWBPJH-UHFFFAOYSA-N
7742-73-6
AS-15997
EN300-23800
J-503896
A9799
1,3-Dichloroisoquinoline

MDL Number

MFCD00034750

Customs Code

2933499090

FAQ

What is 1,3-dichloroisoquinoline (CAS: 7742-73-6)?

1,3-Dichloroisoquinoline (CAS: 7742-73-6) is a chlorinated derivative of isoquinoline. It has a molecular formula of C10H7Cl2N and is used primarily in pharmaceutical and industrial applications due to its structural properties.

What are the main uses of 1,3-dichloroisoquinoline (CAS: 7742-73-6)?

1,3-Dichloroisoquinoline (CAS: 7742-73-6) is mainly used in the synthesis of pharmaceuticals, particularly for anticonvulsant and antipsychotic drugs. It also has potential applications in industrial chemical synthesis and as a reagent in research settings.

Is 1,3-dichloroisoquinoline (CAS: 7742-73-6) safe?

1,3-Dichloroisoquinoline (CAS: 7742-73-6) is generally safe when handled with appropriate precautions. Users should wear personal protective equipment such as gloves and goggles. It is important to avoid inhalation and contact with skin and eyes. Storage and handling should be conducted in a well-ventilated area.

How should 1,3-dichloroisoquinoline (CAS: 7742-73-6) be stored?

1,3-Dichloroisoquinoline (CAS: 7742-73-6) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in tightly sealed containers to prevent degradation and ensure safety. Proper ventilation is essential during storage and handling.