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38183-12-9 molecular structure
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4'-phenyl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dione

ChemBase ID: 105940
Molecular Formular: C17H10O4
Molecular Mass: 278.2589
Monoisotopic Mass: 278.0579088
SMILES and InChIs

SMILES:
O=C1OC2(OC=C(C2=O)c2ccccc2)c2ccccc12
Canonical SMILES:
O=C1OC2(c3c1cccc3)OC=C(C2=O)c1ccccc1
InChI:
InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H
InChIKey:
ZFKJVJIDPQDDFY-UHFFFAOYSA-N

Cite this record

CBID:105940 http://www.chembase.cn/molecule-105940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4'-phenyl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dione
IUPAC Traditional name
fluorescamine
Synonyms
4-Phenylspiro[furan-2(3H)-1'-(3'-H)-Isobenzofuran]-3,3'-dione
FLUORESCAMINE
4-Phenylspiro-[furan-2(3H),1-phthalan]-3,3′-dione
Fluorescamine
Fluram
荧光胺
CAS Number
38183-12-9
EC Number
253-814-5
MDL Number
MFCD00005928
Beilstein Number
921143
Merck Index
144158
PubChem SID
162092857
24894984
PubChem CID
37927
Wikipedia Title
Fluorescamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.975393  LogD (pH = 7.4) 3.975393 
Log P 3.975393  Molar Refractivity 75.1287 cm3
Polarizability 28.987541 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetone: soluble50 mg/mL expand Show data source
Apperance
off-white to yellow powder expand Show data source
Powder expand Show data source
Melting Point
148-158°C expand Show data source
153-157 °C(lit.) expand Show data source
153–157 °C expand Show data source
155-158°C expand Show data source
Absorption Wavelength
λmax 306 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% (TLC) expand Show data source
≥98.0% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Quality Level
PREMIUM expand Show data source
Empirical Formula (Hill Notation)
C17H10O4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195183 external link
Off-white to yellow powder.
Reagent for fluorescent assay of amino acids, peptides, proteins and other primary amines.1,2. Also used for fluorometric assays of some proteolytic enzymes.3
Sigma Aldrich - F9015 external link
Application
Non-fluorescent reagent that reacts readily under mild conditions with primary amines in amino acids and peptides to form stable, highly fluorescent compounds.1,2 Low background due to hydrolysis. Useful for the fluorometric assay of amino acids, protein, and proteolytic enzymes.3 Effectively blocks newly generated amino termini in protein sequence analyses.
包装
1 g in glass bottle
100, 250 mg in glass bottle
Sigma Aldrich - 201650 external link
Application
Non-fluorescent reagent that reacts readily under mild conditions with primary amines in amino acids and peptides to form stable, highly fluorescent compounds.1,2 Low background due to hydrolysis. Useful for the fluorometric assay of amino acids, protein, and proteolytic enzymes.3 Effectively blocks newly generated amino termini in protein sequence analyses.
Packaging
100 mg in glass bottle
Sigma Aldrich - 11-0398 external link
Application
Non-fluorescent reagent that reacts readily under mild conditions with primary amines in amino acids and peptides to form stable, highly fluorescent compounds.1,2 Low background due to hydrolysis. Useful for the fluorometric assay of amino acids, protein, and proteolytic enzymes.3 Effectively blocks newly generated amino termini in protein sequence analyses.
Suitability
for HPLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Weigele, M., et al., J. Am. Chem. Soc. , 94 : 5927 (1972).
  • • Udenfriend, S., et al., Science , 178 : 871 (1972).
  • • Sogowa, K. and Takahashi, K.J., Biochem. (Tokyo) , 83 : 1783 (1978).
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PATENTS

PATENTS

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INTERNET

INTERNET

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