Phenol,4-cyclohexyl-2,6-dinitro- supplier

Name
4-CYCLOHEXYL-2,6-DINITROPHENOL
EINECS
CAS No. 4097-58-9
Density 1.381 g/cm³
Solubility Water solubility: 2.53 mg/L
Melting Point
Formula C₁₂H₁₄N₂O₅
Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 266.25
Flash Point 134.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dinitro-4-cyclohexylphenol;4-Cyclohexyl-2,6-dinitrophenol;
PSA 111.87000
LogP 4.30270

Phenol,4-cyclohexyl-2,6-dinitro- Specification

The Phenol,4-cyclohexyl-2,6-dinitro-, with the CAS registry number 4097-58-9, is also known as 2,6-Dinitro-4-cyclohexylphenol. This chemical's molecular formula is C₁₂H₁₄N₂O₅ and molecular weight is 266.25. What's more, its systematic name is 4-Cyclohexyl-2,6-dinitrophenol.

Physical properties of Phenol,4-cyclohexyl-2,6-dinitro- are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 47.94; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 218.14; (8)ACD/KOC (pH 7.4): 6.94; (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: 1.612; (14)Molar Refractivity: 67.08 cm³; (15)Molar Volume: 192.7 cm³; (16)Polarizability: 26.59×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.381 g/cm³; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 59.65 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 8.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]
(2)InChI: InChI=1S/C12H14N2O5/c15-12-10(13(16)17)6-9(7-11(12)14(18)19)8-4-2-1-3-5-8/h6-8,15H,1-5H2
(3)InChIKey: FQTXZQQAXMVGTE-UHFFFAOYSA-N

Product Name

4-CYCLOHEXYL-2,6-DINITROPHENOL

Phenol,4-cyclohexyl-2,6-dinitro- Specification

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