2,2-Dimethyl-5-nitro-benzo[1,3]dioxole supplier

Name
2,2-dimethyl-5-nitro-1,3-benzodioxole
EINECS
CAS No. 54186-68-4
Article Data9
CAS DataBase
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₄
Boiling Point 275.6 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 125.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-benzodioxole, 2,2-dimethyl-5-nitro-; 2,2-Dimethyl-5-nitro-benzo[1,3]dioxole
PSA 64.28000
LogP 2.62530

2,2-Dimethyl-5-nitro-benzo[1,3]dioxole Specification

The CAS registry number of 2,2-Dimethyl-5-nitro-benzo[1,3]dioxole is 54186-68-4. This chemical is also known as 1,3-Benzodioxole, 2,2-dimethyl-5-nitro- and 2,2-Dimethyl-5-nitrobenzo[d]1,3-dioxolene. Its molecular formula is C₉H₉NO₄ and molecular weight is 195.1721. Its systematic name is called 2,2-dimethyl-5-nitro-1,3-benzodioxole.

Physical properties about this chemical are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.553; (7)Molar Refractivity: 48.28 cm³; (8)Molar Volume: 150.8 cm³; (9)Surface Tension: 49.9 dyne/cm; (10)Density: 1.293 g/cm³; (11)Flash Point: 125.3 °C; (12)Enthalpy of Vaporization: 49.33 kJ/mol; (13)Boiling Point: 275.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00849 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-benzo[1,3]dioxole. This reaction will need reagent 60 percent nitric acid. The reaction time is 1 hour with reaction temperature of 50 °C. The yield is about 95 %.

2,2-Dimethyl-5-nitro-benzo[1,3]dioxole can be prepared by 2,2-dimethyl-benzo[1,3]dioxole

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2OC(Oc2c1)(C)
(2)InChI: InChI=1/C9H9NO4/c1-9(2)13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5H,1-2H3
(3)InChIKey: XCEHELWIDYNWCU-UHFFFAOYAY

Product Name

2,2-dimethyl-5-nitro-1,3-benzodioxole

2,2-Dimethyl-5-nitro-benzo[1,3]dioxole Specification

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