CAS No.130-20-1,Vat Blue 6 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130-20-1
Name:	Vat Blue 6

Formula:	C₂₈H₁₂Cl₂N₂O₄
Molecular Weight:	511.32
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;
EINECS:	204-980-2
Density:	1.591 g/cm³
Boiling Point:	788.5 °C at 760 mmHg
Flash Point:	430.6 °C
PSA:	99.86000
LogP:	5.44740

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With naphthalene

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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.