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Basic red 46

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Name

Basic red 46

EINECS N/A
CAS No. 12221-69-1 Density N/A
PSA 46.80000 LogP 3.78030
Solubility N/A Melting Point N/A
Formula C18H23BrN6 Boiling Point 470.8 °C at 760 mmHg
Molecular Weight 403.3194 Flash Point 238.5 °C
Transport Information N/A Appearance Dark red powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 12221-69-1 (BASIC RED 46) Hazard Symbols N/A
Synonyms

1H-1,2,4-Triazolium,1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, bromide (9CI);Astrazon Red FBL;C.I. Basic Red 46;Cationic Red GRL;Cationic Red SD-GRL;Cationic Red X-GRL;Estrol Red N-GSL;Kayacryl Red GRL;Kayacryl Red GRL-ED;KayacrylRed GRL-N;Maxilon Red GRL;Maxilon Red GRL Pearls;Synacril Red G;

 

Basic red 46 Specification

The 4H-1,2,4-Triazolium,1,4-dimethyl-5-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, bromide(1:1), with the CAS registry number 12221-69-1, has the systematic name of 5-[(E)-{4-[benzyl(methyl)amino]phenyl}diazenyl]-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium bromide. It is a kind of dark red powder, and belongs to the product category of Dyes and Pigments. And the molecular formula of the chemical is C18H23BrN6.

The characteristics of 4H-1,2,4-Triazolium,1,4-dimethyl-5-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, bromide(1:1) are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.69; (7)ACD/KOC (pH 5.5): 8.01; (8)ACD/KOC (pH 7.4): 93.19; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.56 Å2; (13)Flash Point: 238.5 °C; (14)Enthalpy of Vaporization: 73.34 kJ/mol; (15)Boiling Point: 470.8 °C at 760 mmHg; (16)Vapour Pressure: 4.93E-09 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].N(=N/C1N(\C=N/[NH+]1C)C)\c3ccc(N(Cc2ccccc2)C)cc3
(2)InChI: InChI=1/C18H22N6.BrH/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;/h4-12,14,18H,13H2,1-3H3;1H/b21-20+;
(3)InChIKey: GHENLFTVASFMFP-ANVLNOONBO

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