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Disperse Red 1

CAS No.:
2872-52-8
Catalog Number:
AG003PRJ
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
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Product Description
Catalog Number:
AG003PRJ
Chemical Name:
Disperse Red 1
CAS Number:
2872-52-8
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
MDL Number:
MFCD00007312
IUPAC Name:
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
InChI:
InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3
InChI Key:
FOQABOMYTOFLPZ-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC
EC Number:
220-704-3
NSC Number:
57019
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.138g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.345g/mol
Monoisotopic Mass:
314.138g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Efficient double glycoconjugation to naturalize high molecular weight disperse dyes. Carbohydrate research 20120715
Assessment of the sensitizing potential of textile disperse dyes and some of their metabolites by the loose-fit coculture-based sensitization assay (LCSA). Archives of toxicology 20120501
Hepatotoxicity assessment of the azo dyes disperse orange 1 (DO1), disperse red 1 (DR1) and disperse red 13 (DR13) in HEPG2 cells. Journal of toxicology and environmental health. Part A 20120101
Analyses of the genotoxic and mutagenic potential of the products formed after the biotransformation of the azo dye Disperse Red 1. Toxicology in vitro : an international journal published in association with BIBRA 20111201
FT-IR, UV-vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: a combined experimental and theoretical analysis. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201
Differential toxicity of Disperse Red 1 and Disperse Red 13 in the Ames test, HepG2 cytotoxicity assay, and Daphnia acute toxicity test. Environmental toxicology 20111001
Contact sensitization in very young children. Journal of the American Academy of Dermatology 20111001
Nondestructive, colorimetric monitoring of amines and thiols on a solid support. Organic letters 20090806
Photoisomerization of disperse red 1 studied with transient absorption spectroscopy and quantum chemical calculations. The journal of physical chemistry. A 20061102
Photodegradation mechanism and rate improvement of chlorinated aromatic dye in non-ionic surfactant solutions. Water research 20010701
[Allergy to dyes in stockings]. Deutsche medizinische Wochenschrift (1946) 19840928
Properties