5-Nitrofluorescein

Basic Information

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CAS Number

3326-35-0

Molecular Formula

C20H11NO7

Molecular Weight

377.3 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

Basic Physical Properties

Melting Point

>300°C

Boiling Point

692°C at 760 mmHg

Density

1.72

Flash Point

372.3°C

Refractive Index

1.764

SMILES

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Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)[N+](=O)[O-])ccc(c1)O

InChI

InChI=1S/C20H11NO7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)20(15)14-4-1-10(21(25)26)7-13(14)19(24)28-20/h1-9,22-23H

InChIKey

UACQOMKZFGNRBL-UHFFFAOYSA-N

LogP

4.09720

Complexity

637

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

Stability

Light and Moisture Sensitive

Synonyms & References

English

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-5-nitro-
5-Nitrofluorescein (isomer I)
4-NITROFLUORESCEIN
Nitrofluorescein, Is
3',6'-Dihydroxy-5-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
3',6'-Dihydroxy-5-nitro-spiro[phthalan-1,9'-xanthen]-3-on
3',6'-dihydroxy-5-nitro-spiro[phthalan-1,9'-xanthen]-3-one
3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
3',6'-dihydroxy-6-nitro-spiro[isobenzofuran-3,9'-xanthene]-1-one
4-NITROFLUOROESCEIN
5-NITRO-3',6'-DI
5'-nitrofluorescein
Nitrofluorescein, Isomer 1
5-Nitro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-(9H)xanthen]-3-one (isomer I)
5-Nitro-3,6-Dihydroxyspiro[Isobenzofuran-1(3H),9-(9H)Xanthen]-3-One

MDL Number

MFCD00059693

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Nitrofluorescein (CAS: 3326-35-0)?

5-Nitrofluorescein (CAS: 3326-35-0) is a water-soluble fluorescent dye. It crystallizes in the form of colorless needles or prisms. The molecular weight is 346.11 g/mol. It is soluble in water and methanol, but less soluble in ethanol. It exhibits high fluorescence intensity and good chemical stability under normal conditions. It is less reactive towards common organic reagents but can decompose under strong heat or light exposure.

How is 5-Nitrofluorescein (CAS: 3326-35-0) typically synthesized?

5-Nitrofluorescein (CAS: 3326-35-0) is synthesized by the nitration of fluorescein. A mixture of fluorescein and a nitration reagent (such as nitric acid) is heated under controlled conditions. The product is then purified by recrystallization from a suitable solvent. Common catalysts include sulfuric acid, and the yield is typically around 70-80%. This process requires careful control of reaction conditions to ensure selectivity and high purity.

What industries use 5-Nitrofluorescein (CAS: 3326-35-0)?

5-Nitrofluorescein (CAS: 3326-35-0) is widely used in various industries. It is a key reagent in analytical chemistry for fluorescence detection and quantification. It is also used in pharmaceuticals for marker probes, in polymers for fluorescent labeling, in sensors for detecting specific analytes, and in semiconductors for quality control during production processes. Its applications span from research laboratories to industrial settings.

What precautions should be taken when handling 5-Nitrofluorescein (CAS: 3326-35-0)?

When handling 5-Nitrofluorescein (CAS: 3326-35-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using suitable absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed guidelines on handling this compound safely.