CAS No.1327-79-3,Vat Blue 43 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1327-79-3
Name:	Vat Blue 43

Formula:	C₁₈H₁₂N₂O
Molecular Weight:	274.32
Synonyms:	Hydron Blue 3R Stabilosol;Hydron Blue 3RC;Hydron Blue R;Sulfurized Vat Blue R-T;4-(9H-Carbazol-3-ylimino)cyclohexa-2,5-dien-1-one;
EINECS:	215-499-2
Density:	1.26 g/cm³
Boiling Point:	494.643 °C at 760 mmHg
Flash Point:	252.951 °C
PSA:	45.22000
LogP:	4.08870

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Specification

The C.I. Vat Blue 43, with the CAS registry number 1327-79-3, is also known as Carbanol Blue LB. It belongs to the product category of UVCBs-organic-metal salts. Its EINECS registry number is 215-499-2. This chemical's molecular formula is C₁₈H₁₂N₂O and molecular weight is 272.09. What's more, both its IUPAC name and systematic name are the same which is called 4-(9H-Carbazol-3-ylimino)cyclohexa-2,5-dien-1-one.

Physical properties about C.I. Vat Blue 43 are: (1)ACD/LogP: 3.433; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.27; (6)ACD/BCF (pH 7.4): 239.30; (7)ACD/KOC (pH 5.5): 1755.50; (8)ACD/KOC (pH 7.4): 1755.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.22 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 82.264 cm³; (15)Molar Volume: 215.009 cm³; (16)Polarizability: 32.612×10^-24cm³; (17)Surface Tension: 51.27 dyne/cm; (18)Density: 1.266 g/cm³; (19)Flash Point: 252.951 °C; (20)Enthalpy of Vaporization: 76.203 kJ/mol; (21)Boiling Point: 494.643 °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=C/4\C=C/C(=N\c3cc2c1ccccc1nc2cc3)\C=C\4
(2) InChI: InChI=1S/C18H12N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,20H
(3) InChIKey: FMKXFJQAVQXMPX-UHFFFAOYSA-N