Reported in EPA TSCA Inventory.

The C.I. Vat Black 1, with the CAS registry number 3687-67-0, is also known as 3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thien-2(3H)-ylidene)-1,2-dihydro-. It belongs to the product category of Organics. Its EINECS registry number is 222-983-7. This chemical's molecular formula is C₂₀H₉BrClNO₂S and molecular weight is 442.71. What's more, its systematic name is called 5-Bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thiophen-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one.

Physical properties about C.I. Vat Black 1 are: (1)ACD/LogP: 5.767; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.77; (4)ACD/LogD (pH 7.4): 5.77; (5)ACD/BCF (pH 5.5): 14222.53; (6)ACD/BCF (pH 7.4): 14222.53; (7)ACD/KOC (pH 5.5): 32680.52; (8)ACD/KOC (pH 7.4): 32680.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 71.47 Å²; (13)Index of Refraction: 1.803; (14)Molar Refractivity: 107.469 cm³; (15)Molar Volume: 250.735 cm³; (16)Polarizability: 42.604×10^-24 cm³; (17)Surface Tension: 75.63 dyne/cm; (18)Density: 1.766 g/cm³; (19)Flash Point: 292.332 °C; (20)Enthalpy of Vaporization: 84.217 kJ/mol; (21)Boiling Point: 559.76 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc4cc5C(=O)C(=C3Sc2c1c(Cl)cccc1ccc2C3=O)Nc5cc4
(2) InChI: InChI=1S/C20H9BrClNO2S/c21-10-5-7-14-12(8-10)17(24)16(23-14)20-18(25)11-6-4-9-2-1-3-13(22)15(9)19(11)26-20/h1-8,23H
(3) InChIKey: MJURASYNFLAELQ-UHFFFAOYSA-N

The toxicity data is as follows: