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3326-32-7 molecular structure
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3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

ChemBase ID: 130829
Molecular Formular: C21H11NO5S
Molecular Mass: 389.38074
Monoisotopic Mass: 389.03579346
SMILES and InChIs

SMILES:
c1cc2c(cc1N=C=S)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Canonical SMILES:
S=C=Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
InChI:
InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H
InChIKey:
MHMNJMPURVTYEJ-UHFFFAOYSA-N

Cite this record

CBID:130829 http://www.chembase.cn/molecule-130829.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one
IUPAC Traditional name
FITC
Synonyms
Fluorescein 5-isothiocyanate
Fluorescein isothiocyanate isomer I
FITC
Fluorescein isothiocyanate
Fluorescein 5(6)-isothiocyanate
FITC–Celite®
Fluorescein isothiocyanate isomer I–Celite®
CAS Number
3326-32-7
27072-45-3
EC Number
248-207-7
222-042-0
MDL Number
MFCD00005063
Beilstein Number
1407295
PubChem SID
24894788
24894933
24894855
24894860
162225107
PubChem CID
18730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.719013  H Acceptors
H Donor LogD (pH = 5.5) 4.901907 
LogD (pH = 7.4) 4.881711  Log P 4.9021683 
Molar Refractivity 108.283 cm3 Polarizability 40.097435 Å3
Polar Surface Area 88.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Melting Point
>360 °C(lit.) expand Show data source
Fluorescence
λex 492 nm; λem 518 nm (green) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38-42/43 expand Show data source
42 expand Show data source
42/43 expand Show data source
Safety Statements
22-24/25 expand Show data source
22-36/37-45 expand Show data source
26-36 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H317-H334 expand Show data source
H334 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
P261-P342 + P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~98% (HPLC) expand Show data source
≥90% (HPLC) expand Show data source
Suitability
suitable for fluorescent labeling techniques expand Show data source
suitable for protein labeling expand Show data source
Extent of Labeling
8-12% FITC expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - F7250 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Biological applications include use as a fluorescent labeling reagent for proteins, a fluorescent reagent for protein tracing, and a reagent in the fluorescent antibody technique for the rapid identification of pathogens. FITC is yellow-orange in color with an absorption maximum at 495 nm. Upon excitation it emits a yellow-green color with an emission maximum at 525 nm.
Reagent for the FITC labeling of proteins; Microsequencing of proteins and peptides (HPLC)
Sigma Aldrich - F4274 external link
Application
Reagent for the FITC labeling of proteins; Microsequencing of proteins and peptides (HPLC)
Sigma Aldrich - F3651 external link
Application
For fluorescent labeling of proteins (e.g. immunofluorescence); H Protein labeling for gel chromatography
Sigma Aldrich - F1628 external link
包装
1 g in glass bottle
250 mg in glass bottle
法律信息
Celite is a registered trademark of Imerys Minerals California, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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