| Identification | Back Directory | [Name]
5-CHLOROBENZOXAZOLE | [CAS]
17200-29-2 | [Synonyms]
NSC 24984
5-CHLOROBENZOXAZOLE
5-chloro-benzoxazol
5-Chlorobenzoxazole,98%
5-chlorobenzo[d]oxazole
5-Chlorobenzoxazole,95% | [Molecular Formula]
C7H4ClNO | [MDL Number]
MFCD00216939 | [MOL File]
17200-29-2.mol | [Molecular Weight]
153.57 |
| Chemical Properties | Back Directory | [Appearance]
yellowish-orange crystalline chunks | [Melting point ]
42-46 °C
| [Boiling point ]
226.3±13.0℃ (760 torr) | [density ]
1.377±0.06 g/cm3 (20 ºC 760 Torr) | [refractive index ]
1.5618 (estimate) | [Fp ]
90.7±19.8℃ | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to lump | [pka]
-0.85±0.10(Predicted) | [color ]
White to Orange to Green | [InChI]
1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H | [InChIKey]
VWMQXAYLHOSRKA-UHFFFAOYSA-N | [SMILES]
Clc1ccc2ocnc2c1 |
| Hazard Information | Back Directory | [Chemical Properties]
yellowish-orange crystalline chunks | [Synthesis]
General method: triethyl orthoformate (1.1 mmol) was mixed with 4-chloro-2-aminophenol (1 mmol) and p-toluenesulfonic acid (TSA, 1 mol%) was added as a catalyst. The reaction mixture was stirred at 80-90 °C until the reaction was complete (monitored by TLC) according to the reaction conditions shown in Table 4. After completion of the reaction, the reaction mixture was diluted with chloroform (10 mL) and the catalyst was removed by filtration. Finally, the product 5-chlorobenzazole was purified by column chromatography. | [References]
[1] Comptes Rendus Chimie, 2013, vol. 16, # 11, p. 1029 - 1034
[2] Combinatorial Chemistry and High Throughput Screening, 2013, vol. 16, # 8, p. 618 - 627
[3] Monatshefte fur Chemie, 2007, vol. 138, # 7, p. 663 - 667
[4] Angewandte Chemie - International Edition, 2012, vol. 51, # 19, p. 4666 - 4670
[5] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 87 - 91 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
26 | [WGK Germany ]
3 | [RTECS ]
DM4690000
| [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|