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Sunset Yellow FCF
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[ CAS No. 2783-94-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2783-94-0
Chemical Structure| 2783-94-0
Structure of 2783-94-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2783-94-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2783-94-0 ]

SDS Specification
Alternatived Products of [ 2783-94-0 ]

Product Details of [ 2783-94-0 ]

CAS No. :2783-94-0 MDL No. :MFCD00036437
Formula : C16H10N2Na2O7S2 Boiling Point : -
Linear Structure Formula :- InChI Key :OIQPTROHQCGFEF-UHFFFAOYSA-L
M.W : 452.37 Pubchem ID :17730
Synonyms :
Orange Yellow S;Food Yellow 3;C.I. Food Yellow 3;1899 Yellow;1351 Yellow;CI 15985
Chemical Name :Sodium 6-hydroxy-5-((4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate

Calculated chemistry of [ 2783-94-0 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 9.0
Num. H-bond donors : 1.0
Molar Refractivity : 92.6
TPSA : 176.11 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : -24.67
Log Po/w (XLOGP3) : 2.09
Log Po/w (WLOGP) : 4.93
Log Po/w (MLOGP) : 2.02
Log Po/w (SILICOS-IT) : 0.92
Consensus Log Po/w : -2.94

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.11
Solubility : 0.0355 mg/ml ; 0.0000784 mol/l
Class : Moderately soluble
Log S (Ali) : -5.42
Solubility : 0.00173 mg/ml ; 0.00000382 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.73
Solubility : 0.00848 mg/ml ; 0.0000187 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.07

Safety of [ 2783-94-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2783-94-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2783-94-0 ]

[ 2783-94-0 ] Synthesis Path-Downstream   1~6

YieldReaction ConditionsOperation in experiment
Farbrk.mit HCl(gas): roetlich;
Farbrk.mit NH3(gas): ---;
With iron In various solvent(s)
With dihydrogen peroxide; iron(III) chloride; hydroquinone UV-irradiation;
In water UV-irradiation; General procedure: The photocatalytic activity of CuAu-ZnO-Gr was evaluated by the degradation of MO, MB, IN, SY, and TT in quartz beaker under sunlight irradiation, which was allowed by the use of an external sunlight simulator (CHF-XM-500W, 15 A). The photodegradation of synthetic colorants MO, MB, IN, SY, and TT in the presence of CuAu-ZnO-Gr was similar to those discussed recently to mimic photocatalytic degradation of organic pollutants [20-22]. In this work, 50mL of MO (2×10-5molL-1), MB (1×10-5molL-1), IN (4×10-5molL-1), SY (1×10-5molL-1), and TT (1×10-5molL-1) test solution were prepared firstly. Then, these test solution were treated with 0.2mgmL-1 of CuAu-ZnO-Gr respectively and next were agitated for 30 min in the dark to achieve the adsorption and desorption equilibrium. Because of the small amounts of catalyst, 30 min was enough to quickly reach the adsorption and desorption equilibrium. Subsequently, the above suspensions were irradiated with the simulated sunlight. After a certain time interval (5 min for MO, 2 min for another colorants), 2 mL of the suspension was taken, and the catalyst was separated by centrifugation to obtain a clear liquid from which UV-vis spectra was measured. In a similar way, CuAu-ZnO, Au-ZnO, ZnO-Gr (only for MO), and ZnO were used in the degradation of MO, MB, IN, SY, and TT.
With sodium tetrahydroborate at 25℃; Inert atmosphere;
With Oxone for 1h; Irradiation; 2.4. Irradiation experiment All photocatalytic experiments were carried out under similar conditions of sunny days between 11 am and 2 pm. An open borosilicate glass tube of 50 mL capacity, 40 cm height, and 20 mm diameter was used as the reaction vessel. The suspensions were magnetically stirred in the dark for 30 min to attain adsorption-desorption equilibrium between dye and NiS/TiO2. Irradiation was carried out in the open-air condition. Fifty milliliters of dye solution with NiS/TiO2 was continuously aerated by a pump to provide oxygen and for the complete mixing of reaction solution. During the illumination time no volatility of the solvent was observed. After dark adsorption the first sample was taken. At specific time intervals 2-3 mL of the sample was withdrawn and centrifuged to separate the catalyst. One milliliter of the centrifugate was suitably diluted and its absorbance at 313 nm was measured. The absorbance at 313 nm represents the aromatic content of SY and its decrease indicates the degradation of dye. The intensity of solar light was measured using LT Lutron LX-10/ADigital Lux meter and the intensity was 125 x 100±100 lx. Thei ntensity was nearly constant during the experiments.
for 1.5h; Irradiation;
With nanobiochar modified triethylenetetramine In water at 25℃; Irradiation; 2.4. Adsorptive elimination studies General procedure: 500 mg/L stock solution of tartrazine (TA) and sunset yellow (SSY)dyes were prepared in distilled water and was then diluted to 50, 75and 100 mg/L concentrations. The absorbance values of the two dyeswere determined at λ max = 433 nm for tartazine and λ max = 481 nmfor sunset yellow using UV spectroscopy instrumentation. The elimina-tion experiments were carried out at room temperature (25 °C) and the reactions were performed using automatic shaker. The elimination ofthe two dyes using NCB-TA-PC was studied under different practical pa-rameters as the inuence of NCB-TA-PC dose, contact time, initial con-centration of the dye, pH, interfering salts and temperature.
With [(μ4-Se)-Fe3(CO)9Cu2(1,3-bis(4-pyridyl)propane)2] In water at 20℃; for 3.5h; Irradiation;

  • 2
  • [ 2783-94-0 ]
  • [ 4826-64-6 ]
YieldReaction ConditionsOperation in experiment
With azoreductase from Bacillus lentus; NADPH; NADH In aq. buffer at 35℃; for 4h; Enzymatic reaction;
Reference： [1]Oturkar, Chetan C.; Othman, Munif A.; Kulkarni, Mahesh; Madamwar, Datta; Gawai, Kachru R. [RSC Advances, 2013, vol. 3, # 9, p. 3062 - 3070]
  • 3
  • [ 2783-94-0 ]
  • sunset yellow sulfonyl chloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
83.6% With thionyl chloride In 1,2-dichloro-ethane; N,N-dimethyl-formamide at 20 - 60℃; for 4.5h;
Reference： [1]Lv, Dongjun; Zhang, Mingjie; Cui, Jin; Lu, Juanjuan; Li, Weixue [New Journal of Chemistry, 2016, vol. 40, # 4, p. 3363 - 3369]
  • 4
  • [ 2783-94-0 ]
  • pepsin [ No CAS ]
  • pepsin complex with sunset yellow [ No CAS ]
YieldReaction ConditionsOperation in experiment
In aq. buffer at 24.84℃; for 0.5h; Experimental methods Fluorescence spectra and synchronous fluorescencespectra: In each test, buffer solution (1.0 cm3), 2.0 cm31.0 × 10-5 mol dm-3 of PEP and different volumes of SYsolutions were mixed in a 10 cm3 colorimetric tube, and thenincubated for 30 min at different temperatures. A 1.0 cmquartz cell was always used in the experiment. The excitationwavelength of fluorescence spectra was excited at280 nm and 295 nm, respectively. The slit widths of excitationand emission were set at 5 nm. The synchronous fluorescencespectra of PEP were measured with Δλ = 15 nmand Δλ = 60 nm.
Reference： [1]Liu, Baosheng; Ma, Lihua; Bian, Gang; Wang, Chundan; Zhang, Hongcai; Cheng, Xu [Monatshefte fur Chemie, 2019, vol. 150, # 6, p. 1155 - 1161]
  • 5
  • [ 2783-94-0 ]
  • [ 124-38-9 ]
YieldReaction ConditionsOperation in experiment
With C106H100Ag4I2N8P8S2(2+)*2I(1-); oxygen In water for 3h; UV-irradiation;
Reference： [1]Liu, Chao-Fan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping [European Journal of Inorganic Chemistry, 2019, vol. 2019, # 13, p. 1816 - 1824]
  • 6
  • benzene-1,4-dicarboximidamide dihydrochloride [ No CAS ]
  • [ 2783-94-0 ]
  • 4C16H10N2O7S2(2-)*4C8H12N4(2+)*9H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With water In methanol at 20℃; for 12h; Synthesis of FJU-360 To a solution of disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate (SSY, 10 mg) in methanol (2 mL) was added a solution of terephthalamidium dichloride (5.7 mg) in water (2 mL). The mixture was slowly volatilized at room temperature for 12 h to obtain FJU-360 as red single crystal. Elemental analysis calcd (%) for FJU-360, C96H102N24O37S8: C 47.29, H 4.19, N 13.78; found: C 48.38, H 4.23, N 13.17.
Reference： [1]Fan, Zhiwen; Zheng, Shihe; Zhang, Hao; Chen, Kexin; Li, Yunbin; Liu, Chulong; Xiang, Shengchang; Zhang, Zhangjing [Chinese Chemical Letters, 2022, vol. 33, # 9, p. 4317 - 4320]

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