6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid

Basic Information

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CAS Number

6359-29-1

Molecular Formula

C25H21NO6

Molecular Weight

431.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

255-259°C

Boiling Point

683.7 °C at 760 mmHg

Density

1.48

Flash Point

367.3 °C

Refractive Index

1.722

SMILES

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CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)C(=O)O)O

InChI

InChI=1S/C25H21NO6/c1-3-26(4-2)14-9-10-18-21(11-14)31-22-13-20(27)16(23(28)29)12-19(22)25(18)17-8-6-5-7-15(17)24(30)32-25/h5-13,27H,3-4H2,1-2H3,(H,28,29)

InChIKey

LJYFQGHCZXNILU-UHFFFAOYSA-N

LogP

4.504600000000005

Topological Polar Surface Area

96.3 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

740

Safety Information

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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

EINECS 228-797-2
DTXSID20884268
AKOS025310903
Mordant red 15
6359-29-1
Acid chrome pink 3BM
MFCD00800430
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2'-carboxylic acid, 6'-(diethylamino)-3'-hydroxy-3-oxo-
6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2'-carboxylic acid
6'-(diethylamino)-3'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid
NS00043330
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2'-carboxylic acid, 6'-(diethylamino)-3'-hydroxy-3-oxo-
6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2'-carboxylic acid
Mordant Red 15
Acid Chrome Pink 3BM
C.I.Mordant Red 15
Acid Mordant Pink 3BM
6'-(diethylamino)-3'-hydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid
C.I. 45305

MDL Number

MFCD00800430

FAQ

What regulatory guidelines apply to 6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid (CAS: 6359-29-1)?

This compound is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its classification as a hazardous substance. In the European Union, it must comply with REACH regulations for registration of chemicals. Additionally, FDA and EPA have specific requirements for its use in pharmaceuticals and environmental management respectively.

Are there alternatives to 6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid in synthesis?

There are alternative reagents and compounds that can be used in synthesis, such as diethylamine derivatives or other xanthene-based compounds. However, the exact alternatives would depend on the specific application and desired properties. Common substitutes include 6'-amino-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid and related xanthene derivatives.

What is the market or research trend for 6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid (CAS: 6359-29-1)?

The market for this compound is growing due to its applications in pharmaceuticals and as a research tool in organic chemistry. Research trends show increasing interest in its potential as an intermediate for drug development and in exploring its reactivity for new synthetic pathways. Demand is expected to rise with further advancements in these fields.

How should waste containing 6'-(Diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid (CAS: 6359-29-1) be handled?

Waste containing this compound should be collected in appropriate containers and properly labeled. For small quantities, incineration is a suitable method. For larger quantities, professional waste disposal services should be used. Environmental protection measures should include ensuring the waste is handled in compliance with local regulations and to prevent contamination of soil and water.