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Ethanol,2-[(4-nitrophenyl)amino]- (1965-54-4)

Identification
Name:Ethanol,2-[(4-nitrophenyl)amino]-
Synonyms:Ethanol,2-(p-nitroanilino)- (6CI,7CI,8CI); 2-(4-Nitroanilino)ethanol;2-(p-Nitroanilino)ethanol; 2-[(4-nitrophenyl)amino]ethanol;N-(2-Hydroxyethyl)-4-nitroaniline; N-(2-Hydroxyethyl)-4-nitrobenzenamine;N-(2-Hydroxyethyl)-p-nitroaniline; N-(4-Nitrophenyl)ethanolamine; NSC 103357
CAS:1965-54-4
Molecular Formula: C8H10N2O3
Molecular Weight: 182.18
InChI: InChI=1/C8H10N2O3/c11-6-5-9-7-1-3-8(4-2-7)10(12)13/h1-4,9,11H,5-6H2
Molecular Structure: (C8H10N2O3) Ethanol,2-(p-nitroanilino)- (6CI,7CI,8CI); 2-(4-Nitroanilino)ethanol;2-(p-Nitroanilino)ethanol; 2-[(...
Properties
Flash Point: 189.4°C
Boiling Point: 389.5°Cat760mmHg
Density:1.352g/cm3
Refractive index:1.64
Specification:

The 2-[(4-Nitrophenyl)amino]ethanol with cas registry number of 1965-54-4, has the systematic name of 2-[(4-nitrophenyl)amino]ethanol. And its IUPAC name is 2-(4-nitroanilino)ethanol. Besides this, it is also named ethanol, 2-[(4-nitrophenyl)amino]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 58.29 Å2; (7)Index of Refraction: 1.64; (8)Molar Refractivity: 48.57 cm3; (9)Molar Volume: 134.7 cm3; (10)Polarizability: 19.25×10-24cm3; (11)Surface Tension: 62 dyne/cm; (12)Enthalpy of Vaporization: 67.39 kJ/mol; (13)Vapour Pressure: 9.13E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
(1)SMILES: [O-][N+](=O)c1ccc(NCCO)cc1;
(2)InChI: InChI=1/C8H10N2O3/c11-6-5-9-7-1-3-8(4-2-7)10(12)13/h1-4,9,11H,5-6H2;
(3)InChIKey: VPRLWNAMKBZKRR-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C8H10N2O3/c11-6-5-9-7-1-3-8(4-2-7)10(12)13/h1-4,9,11H,5-6H2;
(5)Std. InChIKey: VPRLWNAMKBZKRR-UHFFFAOYSA-N

Flash Point: 189.4°C
Safety Data
 

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