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The Benzenemethanol,3,5-dinitro-, with cas registry number of 71022-43-0 and EINECS registry number 275-131-1, has the systematic name and IUPAC name of (3,5-dinitrophenyl)methanol. It is a kind of slightly yellow amorphous powder and chunks, and belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. And the molecular formula of the chemical is C7H6N2O5. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Benzenemethanol,3,5-dinitro- are as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 40.96; (8)ACD/KOC (pH 7.4): 40.96; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 100.87 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 45.79 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 18.15×10-24cm3; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 183.7 °C; (20)Enthalpy of Vaporization: 69.13 kJ/mol; (21)Boiling Point: 404.2 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-07 mmHg at 25°C.
Uses of Benzenemethanol,3,5-dinitro-: It can be used to produce 3,5-diaminobenzyl alcohol dihydrochloride. And the yield is about 91%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)CO
(2)InChI: InChI=1/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2
(3)InChIKey: GPHYIQCSMDYRGJ-UHFFFAOYAW