Indican | CAS No. 487-60-5

Indican

Basic Information

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CAS Number

487-60-5

Molecular Formula

C14H17NO6

Molecular Weight

295.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

179.0 to 183.0 deg-C

Boiling Point

606.7ºC at 760 mmHg

Density

1.562 g/cm3

Flash Point

320.7ºC

Solubility

H2O: 0.1 M at 20 °C, clear to slightly hazy, colorless to faint yellow-green

Refractive Index

1.715

SMILES

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C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1

InChIKey

XVARCVCWNFACQC-RKQHYHRCSA-N

LogP

-0.6534

Topological Polar Surface Area

115.17000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

356

Safety Information

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Sensitiveness

Sensitive to heat and air

Synonyms & References

English

Indoxyl-.beta.-D-glucoside
3-(beta-D-Glucosido)indole
Indoxyl-beta-D-glucoside
MFCD00047169
Indican, plant
N187WK1Y1J
3-Indolyl-b-D-glucopyranoside
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol
DTXSID10903997
Indican (glucoside)
Plant indican
.beta.-D-Glucopyranoside, 1H-indol-3-yl
beta-D-Glucopyranoside, 1H-indol-3-yl
(2S,3R,4S,5S,6R)-2-((1H-Indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
1H-INDOL-3-YL-.BETA.-D-GLUCOPYRANOSIDE
NSC87517
Indoxyl beta-D-glucoside, Vetec(TM) reagent grade, 97%
3-Indolyl-beta-D-glucopyranoside
CS-0078782
Indoxyl
Indoxyl beta-D-glucoside, >=97%
Indoxyl beta -D-glucoside
3-(Glucosyloxy)indole
INDICAN
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
HY-122009
Indole, 3-(beta-D-glucopyranosyloxy)-
CHEBI:16700
Indoxyl beta-D-glucoside
CHEMBL2063300
SMP2_000304

MDL Number

MFCD00047169

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Indican (CAS: 487-60-5)?

Indican is a white crystalline compound with a molecular weight of approximately 388.41 g/mol. It is slightly soluble in water and more soluble in ethanol. Indican is highly reactive and prone to hydrolysis. It decomposes under acidic conditions and is stable in alkaline solutions.

How is Indican (CAS: 487-60-5) typically synthesized?

Indican can be synthesized via the condensation of indole-3-carboxaldehyde and malonic acid, yielding a high yield with good selectivity. Commonly used catalysts include sulfuric acid. The reaction is usually carried out in water or an aqueous ethanol solution.

What industries use Indican (CAS: 487-60-5)?

Indican is primarily used in the pharmaceutical industry for the production of certain antibiotics. It is also utilized in the development of sensors for detecting specific compounds in environmental and medical applications.

What precautions should be taken when handling Indican (CAS: 487-60-5)?

Indican should be handled with care due to its high reactivity. Use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure proper ventilation by working in a fume hood. Store in a cool, dry place away from heat sources and acids. In case of spill, refer to the Safety Data Sheet (SDS) for detailed instructions.