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Vat Blue 6

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Name

Vat Blue 6

EINECS 204-980-2
CAS No. 130-20-1 Density 1.591 g/cm3
PSA 99.86000 LogP 5.44740
Solubility N/A Melting Point N/A
Formula C28H12Cl2N2O4 Boiling Point 788.5 °C at 760 mmHg
Molecular Weight 511.32 Flash Point 430.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 130-20-1 (Vat Blue 6) Hazard Symbols N/A
Synonyms

3,3'-Dichloroindanthrone;7,16-Dichloroindanthrone;Ahcovat Blue BCF;Amanthrene Blue BCL;Benzadone Blue RC;Blue K;C.I. 69825;C.I. Pigment Blue 64;Calcoloid Blue BLC;Calcoloid Blue BLFD;Caledon Blue XRC;Carbanthrene Blue BCS;Carbanthrene Blue RCS;Cibanone Blue FGF;Cibanone Blue GF;Cibanone Blue GFJ-MD;Dichloroindanthrone;Fenanthren Blue BC;Harmone B 79;Indanthren Blue BC;Indanthren Blue BCA;Indanthrene Blue BC;Indo Blue B-I;Indotoner Blue B 79;Japan Blue 204;Mikethrene Blue BCS;C.I. Vat blue 6;

 

Vat Blue 6 Synthetic route

81-77-6

6,15-dihydroanthrazine-5,9,14,18-tetrone

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With sulfuryl dichloride In chlorobenzene at 30 - 112℃; for 6h; Temperature; Solvent;99.8%
With sulfur dichloride
With aluminium trichloride; sulfuryl dichloride
6374-76-1

2-amino-1,3-dichloro-anthraquinone

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With copper(l) iodide
With iodine; copper
With bromine; copper
With copper(II) sulfate
117-01-1

2-amino-1-bromo-3-chloro-anthraquinone

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With copper diacetate
84-42-4

N-(3-chloro-9,10-dioxo-9,10-dihydro-[2]anthryl)-acetamide

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With sodium hydroxide; sulfur trioxide; iron(III) chloride Reagens 4: Salzsaeure; Reaktion ueber mehrere Stufen;
3.3'-dibromo-indanthrene

3.3'-dibromo-indanthrene

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With chlorine
3,3'-dibromo-indanthrene

3,3'-dibromo-indanthrene

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Conditions
ConditionsYield
With chlorine; sulfur
110-89-4

piperidine

130-20-1

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

7-chloro-16-piperidino-6,15-dihydro-dinaphtho[2,3-a;2',3'-h]phenazine-5,9,14,18-tetraone

Conditions
ConditionsYield
With naphthalene

Vat Blue 6 Specification

The Vat Blue 6, with the CAS registry number 130-20-1 and EINECS registry number 204-980-2, has the systematic name of 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone. And the molecular formula of this chemical is C28H12Cl2N2O4. It belongs to the product category of Organics, and used for the dyeing and printing of cotton, viscose acetal fibre, silk and vinylon.

The physical properties of Vat Blue 6 are as following: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.48; (4)ACD/LogD (pH 7.4): 7.48; (5)ACD/BCF (pH 5.5): 285204.78; (6)ACD/BCF (pH 7.4): 285204.78; (7)ACD/KOC (pH 5.5): 279495.84; (8)ACD/KOC (pH 7.4): 279495.84; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 130.5 cm3; (15)Molar Volume: 321.3 cm3; (16)Polarizability: 51.73×10-24cm3; (17)Surface Tension: 71.4 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 430.6 °C; (20)Enthalpy of Vaporization: 114.69 kJ/mol; (21)Boiling Point: 788.5 °C at 760 mmHg; (22)Vapour Pressure: 7.83E-25 mmHg at 25°C.

Preparation of Vat Blue 6: It can start with 2-amino-anthraquinone. Add sulfuric acid and manganese dioxide to make it dissolved ater alkaline fusion, and then pass chlorine to make it chlorinated. And then you can get the product after a series of crystallization, acid pickling, restore segregation, filtration, comminution and dryness.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c7c(c(Cl)cc1C(=O)c3ccccc23)Nc5c(c(Cl)cc4C(=O)c6c(C(=O)c45)cccc6)N7
(2)InChI: InChI=1/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H
(3)InChIKey: UGCDBQWJXSAYIL-UHFFFAOYAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1800mg/kg (1800mg/kg)   Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 14, Pg. 152, 1975.
mouse LD50 skin 25gm/kg (25000mg/kg)   Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 14, Pg. 152, 1975.
rat LD50 intraperitoneal 420mg/kg (420mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.
rat LD50 oral > 10gm/kg (10000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.

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