Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- supplier

Name
4-TERT-ANYL-2,6-DINITROPHENOL
EINECS
CAS No. 4097-50-1
Article Data3
CAS DataBase
Density 1.305 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O₅
Boiling Point 291.1 °C at 760 mmHg
Molecular Weight 254.243
Flash Point 115.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,2,6-dinitro-4-tert-pentyl- (7CI,8CI);4-tert-Amyl-2,6-dinitrophenol;NSC 21492;NSC 78806;
PSA 111.87000
LogP 3.94260

Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- Specification

The Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- is an organic compound with the formula C₁₁H₁₄N₂O₅. The IUPAC name of this chemical is 4-(2-methylbutan-2-yl)-2,6-dinitrophenol. With the CAS registry number 4097-50-1, it is also named as 4-(1,1-dimethylpropyl)-2,6-dinitrophenol.

Physical properties about Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- are: (1)ACD/LogP: 4.09; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 100.87 Å²; (6)Index of Refraction: 1.573; (7)Molar Refractivity: 64.24 cm³; (8)Molar Volume: 194.7 cm³; (9)Polarizability: 25.46×10^-24cm³; (10)Surface Tension: 51.2 dyne/cm; (11)Density: 1.305 g/cm³; (12)Flash Point: 115.3 °C; (13)Enthalpy of Vaporization: 55.18 kJ/mol; (14)Boiling Point: 291.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)C(C)(C)CC
(2)InChI: InChI=1/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
(3)InChIKey: BTFCDCNHRPIDHR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
(5)Std. InChIKey: BTFCDCNHRPIDHR-UHFFFAOYSA-N

Product Name

4-TERT-ANYL-2,6-DINITROPHENOL

Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- Specification

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