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Vat Blue 4

  • Name Vat Blue 4
  • EINECS201-375-5
  • CAS No. 81-77-6
  • Density1.487 g/cm3
  • PSA99.86000
  • LogP4.14060
  • Solubility<0.1 g/100 mL at 21 °C in water
  • Melting Point470-500 °C
  • FormulaC28H14N2O4
  • Boiling Point740.2 °C at 760 mmHg
  • Molecular Weight442.43
  • Flash Point253.9 °C
  • Transport InformationN/A
  • Appearanceblue needles with a metallic lustre
  • Safety22-36/37/39
  • Risk Codes20/21/22
  • Molecular Structure
    Molecular Structure of 81-77-6 (Vat Blue 4)
  • Hazard SymbolsXi
  • SynonymsXi
  • Article Data56

Vat Blue 4 Chemical Properties


Molecular Formula: C28H14N2O4
Molecular Weight: 442.43 g/mol
Canonical SMILES: c12c3c([nH]c4c5c(c(c6ccccc6c5=O)=O)ccc4[nH]3)ccc1c(c1ccccc1c2=O)=O
InChI: InChI=1/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H
EINECS: 201-375-5
Stability: Incompatible with strong oxidizing agents.
XLogP3-AA: 4.9  
H-Bond Donor: 2  
H-Bond Acceptor: 6
Density: 1.487 g/cm3 
Flash Point: 253.9 °C 
Enthalpy of Vaporization: 107.96 kJ/mol 
Boiling Point: 740.2 °C at 760 mmHg 
Melting Point: 470-500 °C
Water solubility: <0.1 g/100 mL at 21 °C
Vapour Pressure of Vat Blue 4 (CAS NO.81-77-6): 8.92E-22 mmHg at 25 °C

Vat Blue 4 History

 Vat Blue 4 (CAS NO.81-77-6) was patented in 1901 by Rene Bohn as the first anthraquinone vat dye, one of the dyes with very good fastness to light and washing.

Vat Blue 4 Uses

  Vat Blue 4 (CAS NO.81-77-6) is used to dye unmordanted cotton and as a pigment in quality paints and enamels.

Vat Blue 4 Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intratracheal 250mg/kg (250mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1327, 1986.
rat LD50 oral 2gm/kg (2000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 38B, Pg. 60, 1966.

Vat Blue 4 Consensus Reports

 Vat Blue 4 is Reported in EPA TSCA Inventory.

Vat Blue 4 Safety Profile

Poison by intratracheal route. When heated to decomposition it emits toxic vapors of NOx.
Risk Statements: 20/21/22 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37/39 
S22: Do not breathe dust. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RTECS of Vat Blue 4 (CAS NO.81-77-6): CB8761100

Vat Blue 4 Specification

  Vat Blue 4 (CAS NO.81-77-6), its Synonyms are Indanthrene ; 5,9,14,18-Anthrazinetetrone, 6,15-dihydro- ; 6,15-Dihydro-5,9,14,18-anthrazinetetrone ; C.I. Pigment Blue 60 ; Anthraquinone Blue ; Anthraquinone Deep Blue ; Blue anthraquinone pigment ; Indanthren Blue ; Indanthrene blue RS . It is blue needles with a metallic lustre.

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