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| CAS No.: | 81-77-6 |
|---|---|
| Name: | Vat Blue 4 |
| Molecular Structure: | |
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| Formula: | C28H14N2O4 |
| Molecular Weight: | 442.43 |
| Synonyms: | Indanthrene(6CI);6,15-Dihydro-5,9,14,18-anthrazinetetrone;Anthraquinone DeepBlue;Anthraquinone blue;Blue anthraquinone pigment;Caledon Blue RN;Celliton Blue RN;Cibanone Blue FRSN;Cibanone Blue RS;Cibanone Blue RSJ;Fenan Blue RSN;Fenanthren Blue RS;Fuji AS Blue;Fuji AS Blue 65;Graphtol Blue RL;Heliogen Blue 6470;Heliogen Blue K6330;Indanthren Blue;Indanthrene Blue;Indanthrone blue;Medium Blue;Mikethrene Blue RSN;Monolite Blue 3R;Monolite Fast Blue3RD;Nihonthrene Blue RSN;Ostanthren Blue RS; |
| EINECS: | 201-375-5 |
| Density: | 1.487 g/cm3 |
| Melting Point: | 470-500 °C |
| Boiling Point: | 740.2 °C at 760 mmHg |
| Flash Point: | 253.9 °C |
| Solubility: | <0.1 g/100 mL at 21 °C in water |
| Appearance: | blue needles with a metallic lustre |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22 |
| Safety: | 22-36/37/39 |
| PSA: | 99.86000 |
| LogP: | 4.14060 |
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Chemistry
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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
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.
Uses
Vat Blue 4 (CAS NO.81-77-6) is used to dye unmordanted cotton and as a pigment in quality paints and enamels.
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. |
Consensus Reports
Vat Blue 4 is Reported in EPA TSCA Inventory.
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
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.