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51868-46-3

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Basic Information
CAS No.: 51868-46-3
Name: Disperse Blue 291G
Article Data: 5
Molecular Structure:
Molecular Structure of 51868-46-3 (Disperse Blue 291G)
Formula: C21H21 Br N6 O6
Molecular Weight: 533.338
Synonyms: Acetamide,N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(di-2-propenylamino)-4-methoxyphenyl]-(9CI)
EINECS: 257-486-4
Density: 1.47g/cm3
Boiling Point: 716.2°Cat760mmHg
Flash Point: 387°C
Solubility: 52.2μg/L at 20℃
PSA: 157.93000
LogP: 6.94570
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Chemistry

Molecular Structure of Disperse Blue 291G (CAS No.51868-46-3):

Molecular Formula: C21H21BrN6O6
Molecular Weight: 533.33
CAS No: 51868-46-3
H bond acceptors: 12
H bond donors: 1
Freely Rotating Bonds: 11
Polar Surface Area: 149.14 Å2
Index of Refraction: 1.624
Molar Refractivity: 127.72 cm3
Molar Volume: 361.7 cm3
Surface Tension: 53.4 dyne/cm
Density: 1.47 g/cm3
Flash Point: 387 °C
Enthalpy of Vaporization: 104.68 kJ/mol
Boiling Point: 716.2 °C at 760 mmHg
Vapour Pressure: 2.31E-20 mmHg at 25°C
InChI: InChI=1/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+
InChIKey: WXDXQSMFRITTEJ-OCOZRVBEBI
Std. InChI: InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+
Std. InChIKey: WXDXQSMFRITTEJ-OCOZRVBESA-N
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance];TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]
IUPAC Name: N-[5-[Bis(prop-2-enyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide 
Product Categories: Organics

Specification

  Disperse Blue 291G (CAS No.51868-46-3), its synonym is N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide .