Name: Vat Brown 1
SKU: 2475-33-4

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Basic Information

Molecular Structure:
CAS No.:	2475-33-4
Name:	Vat Brown 1

Formula:	C₄₂H₁₈N₂O₆
Molecular Weight:	646.615
Synonyms:	Dinaphtho[2,3-a:2',3'-i]naphth[2',3':6,7]indolo[2,3-c]carbazole-5,10,15,17,22,24-hexone,16,23-dihydro- (6CI,7CI,8CI);Ahcovat Brown BR;Amanthrene Brown BR;BenzadoneBrown BR;Brown SK;C.I. 70800;C.I. Vat Brown 1;Vat Dark Brown BR;
EINECS:	219-599-7
Density:	1.651 g/cm³
Boiling Point:	675.58°C (rough estimate)
Solubility:	Insoluble in water
Appearance:	Fine, dark brown to black crystalline powder with a slight odor
Hazard Symbols:	T
Risk Codes:	R25
PSA:	134.00000
LogP:	7.28180

Synthetic route

: 116-76-7
1,4-bis-(1-anthraquinonylamino)anthraquinone

: 2475-33-4
16,23-dihydro-naphtho[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17,22,24-hexaone

Conditions

Conditions	Yield
With pyridine; aluminium trichloride at 125 - 130℃; Reinigung durch Behandeln des Reaktionsprodukts mit alkal. Natriumhypochlorit-Loesung;
With titanium tetrachloride
With aluminium trichloride

: 6-(9,10-dioxo-9,10-dihydro-[1]anthrylamino)-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone

: 2475-33-4
16,23-dihydro-naphtho[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17,22,24-hexaone

Conditions

Conditions	Yield
With titanium tetrachloride
With aluminium trichloride
With aluminium trichloride
With titanium tetrachloride

: C42H22N2O6

: 2475-33-4
16,23-dihydro-naphtho[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17,22,24-hexaone

Conditions

Conditions	Yield
With pyridine; aluminum (III) chloride Heating; Large scale;

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Chemistry

Molecule structure of C.I. Vat Brown 1 (CAS NO.2475-33-4):

Molecular Weight: 646.60212 g/mol
Molecular Formula: C₄₂H₁₈N₂O₆
Density: 1.651 g/cm³
Index of Refraction: 1.911
Molar Refractivity: 183.73 cm³
Molar Volume: 391.4 cm³
Surface Tension: 99.4 dyne/cm
XLogP3-AA: 7.7
H-Bond Donor: 2
H-Bond Acceptor: 6
Tautomer Count: 93
Exact Mass: 646.116486
MonoIsotopic Mass: 646.116486
Topological Polar Surface Area: 134
Heavy Atom Count: 50
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C6C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)NC6=C1C(=C5N4)C(=O)C2=CC=CC=C2C1=O
InChI: InChI=1S/C42H18N2O6/c45-37-17-7-1-3-9-19(17)39(47)29-25(37)15-13-23-27-28-24-14-16-26-30(40(48)20-10-4-2-8-18(20)38(26)46)34(24)44-36(28)32-31(35(27)43-33(23)29)41(49)21-11-5-6-12-22(21)42(32)50/h1-16,43-44H
InChIKey: DCYIADGZPJOOFN-UHFFFAOYSA-N
EINECS: 219-599-7
Product Categories: Organics

Uses

C.I. Vat Brown 1 (CAS NO.2475-33-4) is mainly used for dyeing cotton fibers. It is also used for dyeing of viscose fibers, silk, polyvinyl alcohol, sticky cotton, cotton victoria.

Specification

C.I. Vat Brown 1 (CAS NO.2475-33-4) is also named as 4-24-00-02209 (Beilstein Handbook Reference) ; Ahcovat Brown BR ; Amanthrene Brown BR ; BRN 0075057 ; Benzadone Brown BR ; Brown SK ; C.I. 70800 ; C.I. 70802 ; C.I. Vat Brown 44 ; Calcoloid Brown BR ; Caledon Dark Brown 3R ; Carbanthrene Brown BR ; Chemithrene Brown BR ; Cibanone Brown BR ; Cibanone Brown FBR ; Fenanthren Brown BR ; Helanthrene Brown GR ; Hned kypova 1 ; Hned kypova 1 [Czech] ; Hned ostanthrenova BR ; Hned ostanthrenova BR [Czech] ; Indanthren Brown BR ; Indanthren Brown GR ; Indanthren bronze BR ; Indanthrene Brown BR ; Mayvat Brown BR ; Mikethrene Brown BR ; Mikethrene Brown GR ; Naphth(2',3':6,7)indolo(2,3-c)dinaphtho(2,3-a:2',3'-i)carbazole-5,10,15,17,22,24-hexone ; Nihonthrene Brown BR ; Nihonthrene Brown GR ; Nyanthrene Brown RB ; Ostanthren Brown BR ; Ostanthrene Brown BR ; Palanthrene Brown BR ; Paradone Red Brown 2RD ; Ponsol Brown RBT ; Romantrene Brown FBR ; Romantrene Brown FGR ; Sandothrene Brown NBR ; Solanthrene Brown BR ; Solanthrene Brown JR ; Tinon Brown BR ; Tyrian Brown I-BR . C.I. Vat Brown 1 (CAS NO.2475-33-4) is fine, dark brown to black crystalline powder with a slight odor. It is insoluble in water. Oxidizing agents and reducing agents may destroy C.I. Vat Brown 1. When heated to decomposition C.I. Vat Brown 1 may emit toxic fumes of carbon oxides and nitrogen oxides.Flash point data for C.I. Vat Brown 1 are not available; however, C.I. Vat Brown 1 is probably combustible. Dust clouds may form explosive mixtures with air.