CAS No.2475-31-2,Vat Blue 4B Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2475-31-2
Name:	Vat Blue 4B

Formula:	C₁₆H₆Br₄N₂O₂
Molecular Weight:	577.852
Synonyms:	Indigotin,5,5',7,7'-tetrabromo- (6CI);[D2,2'-Biindoline]-3,3'-dione, 5,5',7,7'-tetrabromo- (7CI,8CI);5,5',7,7'-Tetrabromoindigo;Ahcovat Printing Blue 2BD;5,7-Dibromo-2-(5,7-dibromo-3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one;Arlanone Blue 2B;BASF Brilliant Indigo 4B;BASF Brilliant Indigo 4BC;Brilliant Indigo 4BR;BrilliantIndigo 4BV;Bromindigo;Bromindigo 2BD;C.I. 73065;C.I. Vat Blue 5;Ciba Blue 2BD;Ciba Blue 2BDG;Ciba Blue 2BN;Durindone Printing Blue 4BC;Hostavat Blue 2BD;Hostavat Blue 4BR;Indigo 4B;Mitsui Tsuya Indigo 2B;Solindene Blue 2BD;Sulfanthrene Blue 2B;Tetrabromoindigo;Thiovat Brilliant Indigo 4BR;Tina Blue 2B;Tsuya Indigo 2B;
EINECS:	219-598-1
Density:	2.313 g/cm³
Boiling Point:	563.381 °C at 760 mmHg
Flash Point:	294.523 °C
Solubility:	Insoluble in water, ethanol, soluble in dimethylbenzene, tetrahydronaphthalene, nitrobenzene
Appearance:	Dark blue powder
PSA:	58.20000
LogP:	6.14080

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Vat Blue 4B, with the CAS registry number 2475-31-2, is also known as Tetrabromoindigo. Its EINECS number is 219-598-1. This chemical's molecular formula is C₁₆H₆Br₄N₂O₂ and molecular weight is 577.85. What's more, its systematic name is 5,7-Dibromo-2-(5,7-dibromo-3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one. This chemical is mainly used in the dyeing and printing of cotton fiber and its textile. It can also be used in the dyeing of fiber, silk, wool, flat-cottonblendedfabric.

Physical properties of Vat Blue 4B are: (1)ACD/LogP: 5.008; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3767.23; (6)ACD/BCF (pH 7.4): 3767.23; (7)ACD/KOC (pH 5.5): 12627.29; (8)ACD/KOC (pH 7.4): 12627.29; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 102.988 cm³; (15)Molar Volume: 249.777 cm³; (16)Polarizability: 40.828×10^-24cm³; (17)Surface Tension: 71.53 dyne/cm; (18)Density: 2.313 g/cm³; (19)Flash Point: 294.523 °C; (20)Enthalpy of Vaporization: 84.671 kJ/mol; (21)Boiling Point: 563.381 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c1cc(Br)cc(Br)c1NC4=C3C(=O)c2cc(Br)cc(Br)c2N3
(2)Std. InChI: InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H
(3)Std. InChIKey: PTWYQANXSNMUTI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	5700mg/kg (5700mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(8), Pg. 54, 1983.