CAS No.8005-56-9,Vat Red 14 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	8005-56-9
Name:	Vat Red 14

Formula:	C₂₆H₁₂N₄O₂
Molecular Weight:	412.40
Synonyms:	Bisbenzimidazobenzo[lmn][3,8]phenanthrolinedione;C.I. 71110;Fenanthren Scarlet 4G;Indanthrene Scarlet GG;Mikethren ScarletGG;Paradone Scarlet 2G;Phenanthrene Scarlet 4G;C.I. Vat Red 14;
EINECS:	232-340-2
Density:	1.66 g/cm³
Boiling Point:	906.7 °C at 760 mmHg
Flash Point:	502.2 °C
PSA:	137.48000
LogP:	8.68800

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Specification

The Vat Red 14 with its cas register number is 8005-56-9. It also can be called as Bisbenzimidazobenzo[lmn][3,8]phenanthrolinedione and the Systematic name about this chemical is bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione.

Physical properties about Vat Red 14 are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 5.89; (5)ACD/BCF (pH 5.5): 17134.33; (6)ACD/BCF (pH 7.4): 17653.33; (7)ACD/KOC (pH 5.5): 37021.89; (8)ACD/KOC (pH 7.4): 38143.28; (9)#H bond acceptors: 6; (10)Polar Surface Area: 69.78Å²; (11)Index of Refraction: 1.924; (12)Molar Refractivity: 117.7 cm³; (13)Molar Volume: 248.2 cm³; (14)Polarizability: 46.66x10^-24cm³; (15)Surface Tension: 78.5 dyne/cm; (16)Enthalpy of Vaporization: 131.88 kJ/mol; (17)Vapour Pressure: 1.05E-33 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C7=NC8=CC=CC=C8N7C5=O
(2)InChI: InChI=1S/C26H12N4O2/c31-25-15-11-12-16-22-14(24-28-18-6-2-4-8-20(18)30(24)26(16)32)10-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H
(3)InChIKey: YMEPVPIIHONYLV-UHFFFAOYSA-N