Benzenemethanol,4-amino-2,6-dinitro- supplier

Name
4-AMINO-2,6-DINITROBENZENEMETHANOL
EINECS
CAS No. 226711-12-2
Article Data1
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point
Formula C₇H₇N₃O₅
Boiling Point 452.2 °C at 760 mmHg
Molecular Weight 213.15
Flash Point 227.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Amino-2,6-dinitrophenyl)methanol;4-Amino-2,6-dinitrobenzyl alcohol;
PSA 137.89000
LogP 2.20510

Benzenemethanol,4-amino-2,6-dinitro- Specification

The Benzenemethanol,4-amino-2,6-dinitro-, with the CAS registry number 226711-12-2, is also known as 4-Amino-2,6-dinitrobenzyl alcohol. This chemical's molecular formula is C₇H₇N₃O₅and molecular weight is 213.15. What's more, its systematic name is (4-amino-2,6-dinitrophenyl)methanol.

Physical properties of Benzenemethanol,4-amino-2,6-dinitro- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.56; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 47.92; (8)ACD/KOC (pH 7.4): 47.93; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 104.11 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 50.03 cm³; (15)Molar Volume: 129.2 cm³; (16)Polarizability: 19.83×10^-24cm³; (17)Surface Tension: 89.6 dyne/cm; (18)Density: 1.649 g/cm³; (19)Flash Point: 227.3 °C; (20)Enthalpy of Vaporization: 74.96 kJ/mol; (21)Boiling Point: 452.2 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])CO)[N+](=O)[O-])N
(2)InChI: InChI=1S/C7H7N3O5/c8-4-1-6(9(12)13)5(3-11)7(2-4)10(14)15/h1-2,11H,3,8H2
(3)InChIKey: DTEYAKYAIQIMOY-UHFFFAOYSA-N

Product Name

4-AMINO-2,6-DINITROBENZENEMETHANOL

Benzenemethanol,4-amino-2,6-dinitro- Specification

Related Products

Hot Products