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5054-57-9

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Basic Information
CAS No.: 5054-57-9
Name: nifenalol
Article Data: 11
Molecular Structure:
Molecular Structure of 5054-57-9 (nifenalol)
Formula: C11H16N2O3
Molecular Weight: 224.26
Density: 1.1672 (rough estimate)
Boiling Point: 365.66°C (rough estimate)
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 78.08000
LogP: 2.54030
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  • Nifenalol,5054-57-9

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    Nifenalol,5054-57-9

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Chemistry

Empirical Formula of Nifenalol (CAS NO.5054-57-9): C11H16N2O3
Molecular Weight: 224.2563 g/mol
Index of Refraction: 1.555
Density: 1.173 g/cm3
Flash Point: 182 °C
Enthalpy of Vaporization: 65.95 kJ/mol
Boiling Point: 377.4 °C at 760 mmHg
Vapour Pressure: 2.29E-06 mmHg at 25 °C
Structure of Nifenalol (CAS NO.5054-57-9):
                       
IUPAC Name: 1-(4-Nitrophenyl)-2-(propan-2-ylamino)ethanol
Canonical SMILES: CC(C)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI: InChI=1S/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3
InChIKey: UAORFCGRZIGNCI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:207 mg/kg

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 35 (1972),29.
2.    

ivn-mus LD50:70 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 27 (1977),1022.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition Nifenalol (CAS NO.5054-57-9) emits toxic fumes of NOx.

Specification

 Nifenalol , its cas register number is 5054-57-9. It also can be called INPEA ; Benzyl alcohol, alpha-(isopropylaminomethyl)-4-nitro- ; and 2-Isopropylamino-1-(4-nitrophenyl)ethanol .