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Basic Information
CAS No.: 596-03-2
Name: 4',5'-DIBROMOFLUORESCEIN
Molecular Structure:
Molecular Structure of 596-03-2 (4',5'-DIBROMOFLUORESCEIN)
Formula: C20H10 Br2 O5
Molecular Weight: 490.104
Synonyms: Fluorescein,4',5'-dibromo- (6CI,8CI); 4',5'-Dibromofluorescein; C.I. 45370:1; C.I. SolventRed 72; D & C Orange 5; D and C Orange No. 5; D&C Orange No. 5; Eosinicacid; Japan Orange 201; Japan Orange No. 201; Orange No. 201; Solvent Red 72
EINECS: 209-876-0
Density: 2.1 g/cm3
Melting Point: 270-273 °C(lit.)
Boiling Point: 633.7 °C at 760 mmHg
Flash Point: 337 °C
Solubility: slightly soluble in Water
Appearance: Orange Powder.
Hazard Symbols: IrritantXi
Risk Codes: 36-25
Safety: 22-24/25-45
Transport Information: UN 2811 6
PSA: 75.99000
LogP: 5.19080
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Chemistry

IUPAC Name: 4',5'-Dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one   
Molecular Formula: C20H10Br2O5
Molecular Weight: 490.1g/mol
EINECS: 209-876-0
Density: 2.1 g/cm3
Melting Point: 270-273 °C(lit.)
Boiling Point: 633.7 °C at 760 mmHg
Flash Point: 337 °C
Solubility: slightly soluble in water
Appearance: orange powder
Liansport Information: UN 2811 6
Freely Rotating Bonds: 2 
Polar Surface Area: 53.99 Å2 
Index of Refraction: 1.842 
Molar Refractivity: 103.43 cm3 
Molar Volume: 232.9 cm3 
Polarizability: 41 ×10-24 cm3 
Surface Tension: 102.8 dyne/cm 
Enthalpy of Vaporization: 97.09 kJ/mol 
Vapour Pressure: 1.18E-16 mmHg at 25°C 
   The chemical synonyms of Dibromofluorescein (596-03-2) are olvent red 72 ; 4’,5’-Dibromo-fluorescei ; 4’,5’-Dibromofluororescein ; 9’-(9H)Xanthen)-3-one,4’,5’-dibromo-3’,6’-dihydroxy-spiro(isobenzofuran-1(3H) ; Acidorange11 ; Eosinicacid.The molecular structure of Dibromofluorescein (596-03-2) is .

Uses

  Dibromofluorescein (596-03-2) is used as light-emitting material.

Toxicity Data With Reference

1.    

mmo-sat 100 ng/plate

    ENMUDM    Environmental Mutagenesis. 1 (1979),116.
2.    

orl-rat TDLo:15,556 mg/kg/21D-C

    TRENAF    Kenkyu Nenpo-Tokyo-toritsu Eisei Kenkyusho. Annual Report of Tokyo Metropolitan Research Laboratory of Public Health. 27 (1976),145.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Br.
Hazard Codes:  Xi,
Xi:  Irritant 
T:  Toxic
Risk Statements:  36-25-36/37/38 
25:  Toxic if swallowed
36:  Irritating to the eyes
36/37/38:  Irritating to eyes, respiratory system and skin
Safety Statements:  22-24/25-45-36-26 
22:  Do not breathe dust
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
24/25:  Avoid contact with skin and eyes