5-Isoquinolinesulfonyl chloride hydrochloride (1:1)

Basic Information

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CAS Number

105627-79-0

Molecular Formula

C9H7Cl2NO2S

Molecular Weight

264.13 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

Melting Point

173-183°C

SMILES

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C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl

InChI

InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H

InChIKey

GZQNTWHQJJVIAK-UHFFFAOYSA-N

LogP

2.5841000000000007

Topological Polar Surface Area

47.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

298

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Moisture Sensitive; Store in Freezer

Synonyms & References

English

MFCD08272853
Isoquinoline-5-sulphonyl chloride, HCl
AC-8863
isoquinoline-5-sulfonyl chloride hydrochloride
DTXSID70519255
AKOS015897027
isoquinoline-5-sulfonyl chloride;hydrochloride
isoquinoline-5-sulfonyl chloride, hydrochloride, AldrichCPR
AMY9222
5-isoquinolinesulfonyl chloride hydrochloride
SCHEMBL987360
SB12511
FT-0656691
AS-19483
isoquinoline-5-sulfonylchloride hydrochloride
5-Isoquinolinesulfonylchloride, hydrochloride (1:1)
MFCD00270016
Isoquinoline-5-sulphonyl chloride hydrochloride
EN300-42641
5-Isoquinolinesulfonyl chloride, hydrochloride
BCP09429
C9H7Cl2NO2S
A801283
105627-79-0
GZQNTWHQJJVIAK-UHFFFAOYSA-N
5-isoquinolinesulfonyl chloride.HCl
Isoquinoline-5-sulfonyl chloride--hydrogen chloride (1/1)
Isoquinoline-5-sulfonyl chloride HCl
ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDE
BL003874
SY042836

MDL Number

MFCD08272853

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 5-Isoquinolinesulfonyl chloride hydrochloride (CAS: 105627-79-0)?

5-Isoquinolinesulfonyl chloride hydrochloride is a white crystalline solid. It has a molecular weight of approximately 277.66 g/mol. This compound is sparingly soluble in water but soluble in common organic solvents. It is highly reactive, particularly under acidic conditions, and can undergo substitution reactions easily.

How is 5-Isoquinolinesulfonyl chloride hydrochloride (CAS: 105627-79-0) typically synthesized?

5-Isoquinolinesulfonyl chloride hydrochloride is typically synthesized by reacting isoquinoline with sulfonyl chloride in the presence of a suitable base such as pyridine. The reaction is often performed under anhydrous conditions to avoid hydrolysis, and the yield can be enhanced by using appropriate catalysts and optimizing reaction conditions.

What industries use 5-Isoquinolinesulfonyl chloride hydrochloride (CAS: 105627-79-0)?

5-Isoquinolinesulfonyl chloride hydrochloride is used in the pharmaceutical industry, where it serves as a building block for synthesizing various drugs. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for the production of organic semiconductors and thin films.

What precautions should be taken when handling 5-Isoquinolinesulfonyl chloride hydrochloride (CAS: 105627-79-0)?

When handling 5-Isoquinolinesulfonyl chloride hydrochloride, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or under a fume hood due to its volatility and reactivity. Spills should be cleaned up immediately with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal procedures.