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CAS No.: | 59820-43-8 |
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Name: | N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol |
Molecular Structure: | |
Formula: | C10H14N2O5 |
Molecular Weight: | 242.2286 |
Synonyms: | 2-[3-Nitro-6-(b-hydroxyethylamino)phenoxy]ethanol;HC Yellow 4;HC Yellow No. 4; |
EINECS: | 258-002-4 |
Density: | 1.461 g/cm3 |
Melting Point: | 142-145 °C |
Boiling Point: | 460.7 °C at 760 mmHg |
Flash Point: | 232.4 °C |
Appearance: | Canary yellow fluffy powder. |
PSA: | 107.54000 |
LogP: | 0.96630 |
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Molecular Structure of N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol (CAS NO.59820-43-8):
IUPAC Name: 2-[2-(2-Hydroxyethylamino)-5-nitrophenoxy]ethanol
Product Name: N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol
Empirical Formula: C10H14N2O5
Molecular Weight: 242.2286
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 76.75 Å2
Index of Refraction: 1.629
Molar Refractivity: 61.42 cm3
Molar Volume: 172.7 cm3
Surface Tension: 65.4 dyne/cm
Density: 1.402 g/cm3
Flash Point: 248.4 °C
Enthalpy of Vaporization: 79.31 kJ/mol
Boiling Point: 487.2 °C at 760 mmHg
Vapour Pressure: 2.64E-10 mmHg at 25°C
Melting Point: 142-145 °C
InChI
InChI=1/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2
Smiles
c1(c(ccc(c1)[N+](=O)[O-])NCCO)OCCO
Classification Code: Mutation data; Tumor data
1. | mic-sat 100 µg/plate | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-419 ,1992. | ||
2. | sln-ipr-uns-dmg 10 pph | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-419 ,1992. |
NTP Carcinogenesis Studies (feed). no evidence: mouse NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-419 ,1992. . NTP Carcinogenesis Studies (feed). equivocal evidence: rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-419 ,1992. . IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 159.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 159.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 159.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Questionable carcinogen with experimental tumorigenic data reported. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol , with CAS number of 59820-43-8, can be called 2-(3-Nitro-6-(beta-hydroxyethylamino)phenoxy)ethanol ; 2-((2-(2-Hydroxyethoxy)-4-nitrophenyl)amino)ethanol ; HC Yellow 4 . N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol may be sensitive to prolonged exposure to light. Flash point data for N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol are not available, however, N,O-Di(2-hydroxyethyl)-2-amino-5-nitrophenol is probably combustible.