5-Isoquinolinesulfonyl chloride

Basic Information

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CAS Number

84468-15-5

Molecular Formula

C9H6ClNO2S

Molecular Weight

227.67 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

Boiling Point

371.2°C at 760 mmHg

Density

1.483

Flash Point

178.3℃

SMILES

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O=S(C1=CC=CC2=C1C=CN=C2)(Cl)=O

InChI

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

InChIKey

WHIDHHUCCTYJKA-UHFFFAOYSA-N

LogP

2.1623

Topological Polar Surface Area

47.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

298

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

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

Synonyms & References

English

Isoquinoline-5-sulfonyl chloride
5-Isoquinolinesulfonyl chloride
Isoquinoline-5-sulfonylchloride
isoquinoline-5-sulfonylchloride hydrochloride
5-isoquinoline sulfonyl chloride
5-isoquino-linesulfonyl chloride
isoquinoline -5-sulfonyl chloride
WHIDHHUCCTYJKA-UHFFFAOYSA-N
BCP25373
isoquinoline-5-sulfonylchloridehydrochloride
isoquinoline-5-sulfonyl chloride

MDL Number

MFCD00270016

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5)?

5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5) falls under the scope of several regulatory guidelines. According to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified as a skin and eye irritant. Specific regulations include the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) and the United States Environmental Protection Agency (EPA) for environmental and health safety. Additionally, the US Food and Drug Administration (FDA) may have specific requirements for its use in pharmaceutical applications.

Are there alternatives to 5-Isoquinolinesulfonyl chloride in synthesis (CAS: 84468-15-5)?

There are several alternatives to 5-Isoquinolinesulfonyl chloride in synthesis, including 4-Isoquinolinesulfonyl chloride and 6-Isoquinolinesulfonyl chloride. Other common reagents that can serve a similar purpose include aromatic sulfonyl chlorides like benzenesulfonyl chloride. These alternatives can vary in reactivity and selectivity, offering different synthetic routes depending on the specific application.

What is the market or research trend for 5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5)?

The market for 5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5) is steadily growing, driven by its use as a building block in the synthesis of various pharmaceuticals and agrochemicals. Recent research trends focus on its application in developing novel drug candidates and improving existing drug formulations. Additionally, there is ongoing exploration of its potential in organic synthesis and material science, reflecting its versatile chemical properties.

How should waste containing 5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5) be handled?

Waste containing 5-Isoquinolinesulfonyl chloride (CAS: 84468-15-5) should be managed according to local regulations and guidelines. Typically, it should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposing of such waste, provided it is done in accordance with environmental protection standards. Environmental precautions include ensuring that all waste is neutralized to prevent environmental contamination before disposal.