1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

80360-20-9

Molecular Formula

C15H11NO3S

Molecular Weight

285.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

157-161 °C

Boiling Point

513.6°C at 760 mmHg

Density

1.31

Flash Point

264.4°C

Refractive Index

1.644

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O

InChI

InChI=1S/C15H11NO3S/c17-11-12-10-16(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-11H

InChIKey

ZLARITBCJILRBL-UHFFFAOYSA-N

LogP

2.690800000000001

Topological Polar Surface Area

56.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

450

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

N-phenylsulfonylindole-3-carboxaldehyde
AKOS016003595
C76573
CU-00000000106-1
NS-00010
1-Benzenesulfonyl-1H-indole-3-carbaldehyde
MFCD02681985
80360-20-9
1-(benzenesulfonyl)-1H-indole-3-carbaldehyde
NSC628191
1-phenylsulphonylindole-3-carboxaldehyde
1-Benzenesulfonyl-1H-indole-3-carboxaldehyde
NCI60_009063
N-phenylsulfonyl-3-indolecarboxaldehyde
CS-0135335
SCHEMBL723339
ZLARITBCJILRBL-UHFFFAOYSA-N
SY104006
1-(Benzenesulfonyl)indole-3-carboxaldehyde
CHEMBL1985336
1-(Phenylsulfonyl)-3-indolecarboxaldehyde, 97%
1H-Indole-3-carboxaldehyde, 1-(phenylsulfonyl)-
NCGC00161737-01
J-503595
1-(benzenesulfonyl)indole-3-carbaldehyde
1-(Phenylsulfonyl)-3-formylindole
1-(phenylsulfonyl)-1h-indole-3-carbaldehyde
1-(phenylsulphonyl)-1h-indole-3-carboxaldehyde
NSC-628191
1-(Phenylsulfonyl)indole-3-carbaldehyde
C15H11NO3S

MDL Number

MFCD02681985

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9)?

1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) is subject to various regulatory guidelines including GHS classification, which categorizes it based on its physical and chemical properties. The European Chemicals Agency (ECHA) under REACH regulations requires registration and evaluation for substances above a certain tonnage. In the US, the FDA and EPA have specific requirements for the handling, transport, and disposal of this compound to ensure safety and environmental protection.

Are there alternatives to 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) in synthesis?

There are several alternatives to 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) in synthesis, such as 1-(Phenylsulfonyl)-1H-indole-3-carboxylic acid and 1-(Phenylsulfonyl)-1H-indole-3-ethanol. These compounds can serve similar roles in various synthetic pathways, offering different reactivity and functionality. Additionally, alternative reagents like phenylsulfonyl isocyanate can be used as precursors in the synthesis of related compounds.

What is the market or research trend for 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9)?

The market for 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) reflects growing interest in indole derivatives due to their potential in medicinal chemistry and pharmaceutical applications. Research trends indicate a focus on the development of new synthetic routes, efficacy studies, and exploring its use in drug discovery. Industry demand is expected to continue increasing with advancements in analytical techniques and the identification of novel biological activities.

How should waste containing 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) be handled?

Waste containing 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde (CAS: 80360-20-9) should be collected and stored in suitable containers that prevent spillage and contamination. Proper incineration or professional waste disposal services should be utilized to handle the waste, adhering to local and international environmental regulations. Precautions include ensuring waste is neutralized if necessary, and implementing safety measures to protect handlers from potential hazards. Compliance with GHS guidelines and REACH regulations is essential to ensure safe and environmentally responsible disposal.