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CAS No.: | 33793-98-5 |
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Name: | 2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazole |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H11NO |
Molecular Weight: | 137.181 |
Synonyms: | NSC 195328; |
Density: | 1.067 g/cm3 |
Boiling Point: | 215.9 °C at 760 mmHg |
Flash Point: | 81.2 °C |
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The CAS register number of Benzoxazole,4,5,6,7-tetrahydro-2-methyl- is 33793-98-5. The systematic name about this chemical is 2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazole. The molecular formula about this chemical is C8H11NO and the molecular weight is 137.179.
Physical properties about Benzoxazole,4,5,6,7-tetrahydro-2-methyl- are: (1)ACD/LogP: 1.86; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.03 Å2; (4)Index of Refraction: 1.506; (5)Molar Refractivity: 38.25 cm3; (6)Molar Volume: 128.5 cm3; (7)Polarizability: 15.16x10-24cm3; (8)Surface Tension: 38 dyne/cm; (9)Density: 1.067 g/cm3; (10)Flash Point: 81.2 °C; (11)Enthalpy of Vaporization: 43.39 kJ/mol; (12)Boiling Point: 215.9 °C at 760 mmHg; (13)Vapour Pressure: 0.211 mmHg at 25 °C.
Preparation: this chemical can be prepared by acetyl chloride and cyclohexanone oxime. This reaction needs heating. This reaction will need reagent of 2,4,6-Trimethylpyridine and solvent of acetic anhydride. The reaction time is 30 min. The yield is about 18%.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(oc1C)CCCC2
(2)InChI: InChI=1/C8H11NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3
(3)InChIKey: CSHSCGOIIWOJLI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H11NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3
(5)Std. InChIKey: CSHSCGOIIWOJLI-UHFFFAOYSA-N