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Pyridine,4-(1,1-dimethylethyl)-, 1-oxide

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Name

Pyridine,4-(1,1-dimethylethyl)-, 1-oxide

EINECS N/A
CAS No. 23569-17-7 Density 0.94 g/cm3
PSA 25.46000 LogP 2.41260
Solubility N/A Melting Point 103.9-104.3 °C
Formula C9H13NO Boiling Point 286.6 °C at 760 mmHg
Molecular Weight 151.208 Flash Point 127.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23569-17-7 (4-TERT-BUTYLPYRIDINE 1-OXIDE) Hazard Symbols N/A
Synonyms

4-tert-Butylpyridine oxide;4-tert-Butylpyridine N-oxide;4-tert-Butylpyridine 1-oxide;Pyridine,4-tert-butyl-, 1-oxide (6CI,7CI,8CI);

Article Data 39

Pyridine,4-(1,1-dimethylethyl)-, 1-oxide Specification

The Pyridine, 4-(1, 1-dimethylethyl)-, 1-oxide, with the CAS registry number 23569-17-7, is also known as 4-tert-Butylpyridine N-oxide. This chemical's molecular formula is C9H13NO and molecular weight is 151.21. What's more, its systematic name is 4-tert-Butylpyridine 1-oxide.

Physical properties about Pyridine, 4-(1, 1-dimethylethyl)-, 1-oxide are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1.38; (7)ACD/KOC (pH 5.5): 43.84; (8)ACD/KOC (pH 7.4): 43.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 24.11 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 46.25 cm3; (15)Molar Volume: 159.6 cm3; (16)Polarizability: 18.33×10-24 cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.94 g/cm3; (19)Flash Point: 127.1 °C; (20)Enthalpy of Vaporization: 50.46 kJ/mol; (21)Boiling Point: 286.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0045 mmHg at 25 °C.

Preparation of Pyridine, 4-(1, 1-dimethylethyl)-: this chemical is prepared by 4-tert-Butyl-pyridine. This reaction needs reagents Urea and 95 % HCO2H. The reaction time is 3 hours with reaction temperature of 20 °C. The yield is about 87 %.

The Pyridine, 4-(1, 1-dimethylethyl)- can be obtained by 4-tert-Butyl-pyridine.

Uses of Pyridine, 4-(1, 1-dimethylethyl)-: it is used to produce other chemicals. For example, it is used to produce 4-tert-Butyl-pyridine. This reaction needs reagents SnCl2 and TiCl4. Meanwhile, it needs solvent Benzene. The reaction time is 30 minutes. The yield is about 99 %.

The Pyridine, 4-(1, 1-dimethylethyl)- can be used to produce 4-tert-Butyl-pyridine.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1ccc(cc1)C(C)(C)C
(2) InChI: InChI=1/C9H13NO/c1-9(2,3)8-4-6-10(11)7-5-8/h4-7H,1-3H3
(3) InChIKey: CMFQXPIZAKBRCG-UHFFFAOYAR

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