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6021-61-0

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Basic Information
CAS No.: 6021-61-0
Name: Disperse Red 54
Article Data: 2
Molecular Structure:
Molecular Structure of 6021-61-0 (Disperse Red 54)
Formula: C19H18 Cl N5 O4
Molecular Weight: 415.836
Synonyms: Propanenitrile,3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]- (9CI);Propionitrile, 3-[p-[(2-chloro-4-nitrophenyl)azo]-N-(2-hydroxyethyl)anilino]-,acetate (6CI,7CI); Propionitrile,3-[p-[(2-chloro-4-nitrophenyl)azo]-N-(2-hydroxyethyl)anilino]-, acetate (ester)(8CI); 4-[(2-Acetoxyethyl)(2-cyanoethyl)amino]-2'-chloro-4'-nitroazobenzene;4-[(2-Chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-N-(2-hydroxyethyl)anilineacetate; 4'-[N-(Acetoxyethyl)-N-(cyanoethyl)amino]-2-chloro-4-nitroazobenzene;Synten Scarlet F 3GL
EINECS: 227-876-9
Density: 1.31g/cm3
Boiling Point: 622.6ºC at 760 mmHg
Flash Point: 330.3ºC
Solubility: 94μg/L at 20℃
PSA: 123.87000
LogP: 5.46998
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Chemistry

Molecular Structure of Disperse Red 54 (CAS No. 6021-61-0):

IUPAC Name: 2-[4-[(2-Chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetate 
Molecular Formula: C19H18ClN5O4
Molecular Weight: 415.830320 g/mol
CAS Registry Number: 6021-61-0
EINECS: 227-876-9
Index of Refraction: 1.608
Molar Refractivity: 109.3 cm3
Molar Volume: 315.8 cm3
Surface Tension: 52.6 dyne/cm
Density: 1.31 g/cm3
Flash Point: 330.3 °C
Enthalpy of Vaporization: 92.23 kJ/mol
Boiling Point: 622.6 °C at 760 mmHg
Vapour Pressure: 2.02E-15 mmHg at 25°C
Product Categories: Organics
Structure Descriptors of Disperse Red 54 (CAS No. 6021-61-0):
SMILES: Clc2cc(ccc2/N=N/c1ccc(N(CCC#N)CCOC(=O)C)cc1)[N+]([O-])=O
InChI: InChI=1/C19H18ClN5O4/c1-14(26)29-12-11-24(10-2-9-21)16-5-3-15(4-6-16)22-23-19-8-7-17(25(27)28)13-18(19)20/h3-8,13H,2,10-12H2,1H3/b23-22+
InChIKey: XSTSGWJEOIPFED-GHVJWSGMBZ
Std. InChI: InChI=1S/C19H18ClN5O4/c1-14(26)29-12-11-24(10-2-9-21)16-5-3-15(4-6-16)22-23-19-8-7-17(25(27)28)13-18(19)20/h3-8,13H,2,10-12H2,1H3/b23-22+
Std. InChIKey: XSTSGWJEOIPFED-GHVJWSGMSA-N

Specification

  Disperse Red 54 with cas registry number of 6021-61-0 is also called 4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline ; 4-(2-Chloro-4-nitrophenylazo)-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)aniline ; Propanenitrile, 3-((2-acetoxyethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)- ; Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)- ; Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)- ; 2-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)anilino)ethyl acetate .