ChemicalBook--->CAS DataBase List--->10531-78-9

10531-78-9

10531-78-9 Structure

10531-78-9 Structure
IdentificationMore
[Name]

5-METHYLBENZOXAZOLE
[CAS]

10531-78-9
[Synonyms]

5-METHYL-1,3-BENZOXAZOLE
5-METHYLBENZOXAZOLE
5-Methylbenzoxazole, 99.5+%
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD00216938
[Molecular Weight]

133.15
[MOL File]

10531-78-9.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW TO BROWN CRYSTALLINE SOLID
[Melting point ]

41-44 °C
[Boiling point ]

96 °C / 15mmHg
[density ]

1.1475 (rough estimate)
[refractive index ]

1.5320 (estimate)
[Fp ]

87℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

2.66±0.10(Predicted)
[color ]

White to Green to Brown
[CAS DataBase Reference]

10531-78-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[WGK Germany ]

1
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

YELLOW TO BROWN CRYSTALLINE SOLID
[Synthesis]

Triethyl orthoformate

122-51-0

2-Amino-p-cresol

95-84-1

5-METHYLBENZOXAZOLE

10531-78-9

GENERAL METHOD: Triethyl orthoformate (1.1 mmol) and o-amino-p-toluol (1 mmol) were mixed and p-toluenesulfonic acid (TSA, 1 mol%) was added as a catalyst. The reaction mixture was stirred at 80-90 °C for an appropriate time depending on the course of the reaction (cf. Table 4). After completion of the reaction (monitored by TLC), the reaction mixture was diluted with chloroform (10 mL) and the catalyst was removed by filtration. The final product 5-methylbenzazole was purified by column chromatography.

[References]

[1] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 87 - 91
[2] Combinatorial Chemistry and High Throughput Screening, 2013, vol. 16, # 8, p. 618 - 627
[3] Chemical Communications, 2014, vol. 50, # 73, p. 10661 - 10664
[4] Monatshefte fur Chemie, 2007, vol. 138, # 7, p. 663 - 667
[5] Comptes Rendus Chimie, 2013, vol. 16, # 11, p. 1029 - 1034
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYLBENZOXAZOLE(10531-78-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methylbenzoxazole, 99.5+%(10531-78-9)
[Alfa Aesar]

5-Methylbenzoxazole, 99%(10531-78-9)
[TCI AMERICA]

5-Methylbenzoxazole,>98.0%(GC)(10531-78-9)
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