Fluorescein 6-isothiocyanate

Base Information

• Chemical Name: Fluorescein 6-isothiocyanate
• CAS No.: 18861-78-4
• Deprecated CAS: 115984-90-2,3012-71-3,55177-68-9
• Molecular Formula: C21H11 N O5 S
• Molecular Weight: 389.388
• Hs Code.: 29329990
• European Community (EC) Number: 633-766-5
• UNII: 360X6ZS9ZB
• DSSTox Substance ID: DTXSID10293325
• Mol file: 18861-78-4.mol

Synonyms:fluorescein 6-isothiocyanate;18861-78-4;Fluorescein-6-isothiocyanate;Fluorescein 6-Isothiocyanate (isomer II);3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one;Fluorescein 6-Isothiocyanate, Isomer 2, 95%;FITC, 6-;1173-43-9;3',6'-dihydroxy-6-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one;FITC-II;fluorescein isothiocyanate isomer ii;FITC Isomer II;F6ITC;FITC (6-isothiocyanate);6-Isothiocyanatofluorescein;6-FITC [MI];SCHEMBL160107;CHEBI:37928;DTXSID10293325;MFCD00041838;AKOS015912141;LS-14835;PD167109;HY-136957;CS-0135568;F0783;FT-0626458;F12301;F04-0026;J-012159;3',6'-dihydroxy-6-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one;3\',6\'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9\'-xanthene]-1-one

Chemical Property of Fluorescein 6-isothiocyanate

Chemical Property:

• Vapor Pressure: 2.28E-21mmHg at 25°C
• Boiling Point: 719.1°Cat760mmHg
• PKA: 9.31±0.20(Predicted)
• Flash Point: 388.7°C
• PSA: 120.44000
• Density: 1.54g/cm³
• LogP: 4.40010
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 389.03579362
• Heavy Atom Count: 28
• Complexity: 668

Purity/Quality:

98% ^*data from raw suppliers

Fluorescein 6-isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N=C=S)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
• Uses: Amine-Reactive Fluorescent probe for counjugation to proteins or peptides. Fluorescent labeling reagent for proteins. Used in the fluorescent antibody technique for rapid identification of pathogens. Fluorescent labeling reagent for proteins. Fluorescein 6-isothiocyanate is used in the fluorescent antibody technique for rapid identification of pathogens.

Technology Process of Fluorescein 6-isothiocyanate

There total 6 articles about Fluorescein 6-isothiocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thiophosgene (463-71-8) + 6'-amino-3,6-dihydroxyspiro-3'-one (51649-83-3) → fluorescein-5-isothiocyanate (18861-78-4)

Guidance literature:

With calcium carbonate; In acetone; at 20 ℃; for 3h; Reflux;

DOI:10.1021/ml300191g

Reference yield:

recorcinol (108-46-3) → fluorescein-5-isothiocyanate (18861-78-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 200 °C

2: sodium sulfide nonahydrate; sodium hydrogensulfide / water / 24 h / Reflux

3: calcium carbonate / acetone / 3 h / 20 °C / Reflux

With sodium hydrogensulfide; sodium sulfide nonahydrate; calcium carbonate; In water; acetone;

DOI:10.1021/ml300191g

Reference yield:

4'-nitrofluorescein (27402-68-2) → fluorescein-5-isothiocyanate (18861-78-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium sulfide nonahydrate; sodium hydrogensulfide / water / 24 h / Reflux

2: calcium carbonate / acetone / 3 h / 20 °C / Reflux

With sodium hydrogensulfide; sodium sulfide nonahydrate; calcium carbonate; In water; acetone;

DOI:10.1021/ml300191g

upstream raw materials:

4'-nitrofluorescein

4-nitrophthalic acid

recorcinol

3',6'-bis(acetyloxy)-4-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Downstream raw materials:

C₄₂H₃₄N₂O₉S

Refernces

• 1、 -. "Method for locating hidden microorganism contaminated surfaces in industrial water systems". . . Retrieved 2008/06/13.