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Phloxine

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Name

Phloxine

EINECS N/A
CAS No. 6441-77-6 Density N/A
PSA 93.40000 LogP 7.42890
Solubility N/A Melting Point N/A
Formula C20H6 Br4 Cl2 O5 . 2 K Boiling Point 702.1ºC at 760 mmHg
Molecular Weight 795.00 Flash Point 378.4ºC
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl, Br, and K2O. Risk Codes N/A
Molecular Structure Molecular Structure of 6441-77-6 (dipotassium 3,6-dichloro-2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate) Hazard Symbols Xi
Synonyms

Fluorescein,2',4',5',7'-tetrabromo-4,7-dichloro-, dipotassium salt (8CI);Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, dipotassium salt (9CI);Acid Red 98; C.I. 45405; C.I. Acid Red 98; Phloxin; Phloxine; Toyo Acid Phloxine

 

Phloxine Chemical Properties

Molecular Formula: C20H4Br4Cl2K2O5
Molar mass: 792.96136 g/mol
EINECS: 229-225-4
Flash Point: 378.4 °C
Boiling Point: 702.1 °C at 760 mmHg
Vapour Pressure: 2.29E-20 mmHg at 25°C
Product categories of Phloxine (6441-77-6): Fluorescein
Structure of Phloxine (6441-77-6):
        
H-Bond Donor: 0
H-Bond Acceptor: 5
Systematic Name: Dipotassium 2',4',5',7'-tetrabromo-4,7-dichloro-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate 
SMILES: [K+].[K+].Brc5cc4c(Oc1c(cc(Br)c([O-])c1Br)C43OC(=O)c2c3c(Cl)ccc2Cl)c(Br)c5[O-] 
InChI: InChI=1/C20H6Br4Cl2O5.2K/c21-7-3-5-17(13(23)15(7)27)30-18-6(4-8(22)16(28)14(18)24)20(5)12-10(26)2-1-9(25)11(12)19(29)31-20;;/h1-4,27-28H;;/q;2*+1/p-2 
InChIKey: JBBPTUVOZCXCSU-NUQVWONBAD 
Std. InChI: InChI=1S/C20H6Br4Cl2O5.2K/c21-7-3-5-17(13(23)15(7)27)30-18-6(4-8(22)16(28)14(18)24)20(5)12-10(26)2-1-9(25)11(12)19(29)31-20;;/h1-4,27-28H;;/q;2*+1/p-2 
Std. InChIKey: JBBPTUVOZCXCSU-UHFFFAOYSA-L

Phloxine Toxicity Data With Reference

1.    

dnr-esc 1 mg/disc

    MUREAV    Mutation Research. 88 (1981),1.
2.    

dnd-esc 1 mg/disc

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),215.
3.    

dni-hmn:leu 500 mg/L

    NEZAAQ    Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 30 (1975),574.
4.    

cyt-hmn:leu 1 mg/L

    NEZAAQ    Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 30 (1975),574.
5.    

cyt-hmn:fbr 1 mg/L

    NEZAAQ    Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 30 (1975),574.
6.    

orl-rat LD50:2870 mg/kg

    SKEZAP    Shokuhin Eiseigaku Zasshi. Journal of the Food Hygiene Society of Japan. 16 (1975),34.

Phloxine Consensus Reports

EPA Genetic Toxicology Program.

Phloxine Safety Profile

Moderately toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl, Br, and K2O.

Phloxine Specification

 Phloxine (6441-77-6) also can be called Toyo Acid Phloxine ; Phloxine K ; Dipotassium 2',4',5',7'-tetrabromo-4,7-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate and spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, potassium salt (1:2) .

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