Benzenemethanol,3,5-dinitro- supplier

Name
3,5-DINITROBENZYL ALCOHOL
EINECS 275-131-1
CAS No. 71022-43-0
Article Data21
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point 88-91 °C(lit.)
Formula C₇H₆N₂O₅
Boiling Point 404.2 °C at 760 mmHg
Molecular Weight 198.135
Flash Point 183.7 °C
Transport Information
Appearance slightly yellow amorphous powder and chunks
Safety 22-24/25
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, 3,5-dinitro- (6CI);3,5-Dinitrobenzenemethanol;3,5-Dinitrobenzylalcohol;(3,5-dinitrophenyl)methanol;benzenemethanol, 3,5-dinitro-;
PSA 111.87000
LogP 2.04170

Benzenemethanol,3,5-dinitro- Specification

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

Product Name

3,5-DINITROBENZYL ALCOHOL

Benzenemethanol,3,5-dinitro- Specification

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