CAS No.4836-69-5,2,4-Dinitro phenyl ethyl alcohol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4836-69-5
Name:	2,4-Dinitro phenyl ethyl alcohol
Article Data:	3

Formula:	C₈H₈N₂O₅
Molecular Weight:	212.162
Synonyms:	Phenethylalcohol, 2,4-dinitro- (7CI,8CI);2,4-Dinitrobenzeneethanol;2-(2,4-Dinitrophenyl)ethanol;
Density:	1.479 g/cm³
Boiling Point:	376.489 °C at 760 mmHg
Flash Point:	167.073 °C
PSA:	111.87000
LogP:	2.08420

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Specification

This chemical is called 2,4-Dinitrophenylethyl alcohol, and its systematic name is 2-(2,4-Dinitrophenyl)ethanol. With the molecular formula of C₈H₈N₂O₅, its molecular weight is 212.16. The CAS registry number of this chemical is 4836-69-5.

Other characteristics of the 2,4-Dinitrophenylethyl alcohol can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 111.87 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 50.428 cm³; (9)Molar Volume: 143.44 cm³; (10)Polarizability: 19.991×10^-24cm³; (11)Surface Tension: 67.777 dyne/cm; (12)Density: 1.479 g/cm³; (13)Flash Point: 167.073 °C; (14)Enthalpy of Vaporization: 65.841 kJ/mol; (15)Boiling Point: 376.489 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)CCO
2.InChI: InChI=1/C8H8N2O5/c11-4-3-6-1-2-7(9(12)13)5-8(6)10(14)15/h1-2,5,11H,3-4H2
3.InChIKey: AONMTYOVKUOHQP-UHFFFAOYAK