Products Categories
| CAS No.: | 835-71-2 |
|---|---|
| Name: | 2-(P-TOLYL)BENZOXAZOLE |
| Article Data: | 256 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H11NO |
| Molecular Weight: | 209.247 |
| Synonyms: | Benzoxazole,2-p-tolyl- (6CI,7CI,8CI);2-(4-Methylphenyl)-1,3-benzoxazole;2-(4-Methylphenyl)benzo[d]oxazole;2-(4-Methylphenyl)benzoxazole;2-(4'-Methylphenyl)benzoxazole;2-p-Tolylbenzoxazole;4-(2-Benzoxazolyl)toluene; |
| EINECS: | 212-643-6 |
| Density: | 1.155 g/cm3 |
| Melting Point: | 112-114 °C |
| Boiling Point: | 309.2 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| PSA: | 26.03000 |
| LogP: | 3.80320 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- Total:27 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzoxazole,2-(4-methylphenyl)-, with the CAS registry number 835-71-2, is also known as 2-p-Tolylbenzoxazole. Its EINECS registry number is 212-643-6. This chemical's molecular formula is C14H11NO and molecular weight is 209.24324. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Methylphenyl)-1,3-benzoxazole. The classification code is Drug / Therapeutic Agent.
Physical properties about Benzoxazole,2-(4-methylphenyl)- are: (1) ACD/LogP: 4.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.47; (4) ACD/LogD (pH 7.4): 4.47; (5) ACD/BCF (pH 5.5): 1473.82; (6) ACD/BCF (pH 7.4): 1473.83; (7) ACD/KOC (pH 5.5): 6450.13; (8) ACD/KOC (pH 7.4): 6450.21; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 26.03 Å2; (13) Index of Refraction: 1.623; (14) Molar Refractivity: 63.9 cm3; (15) Molar Volume: 181.1 cm3; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.155 g/cm3; (18)Flash Point: 125.4 °C; (19) Enthalpy of Vaporization: 52.8 kJ/mol; (20) Boiling Point: 309.2 °C at 760 mmHg; (21) Vapour Pressure: 0.00118 mmHg at 25 °C ; (22) Melting Point: 112-114 °C.
Preparation of Benzoxazole,2-(4-methylphenyl)-:this chemical can be prepared by 4-Methyl-benzoic acid with 2-Amino-phenol.
.jpg)
The reaction occurs with reagent tin(II) Chloride and solvent Dioxane at temperature of 180 °C for 30 hours. The yield is 55 %.
.jpg)
Uses of Benzoxazole,2-(4-methylphenyl)-: it is used to produce other chemicals. For example, it is used to produce 2-(4-Bromomethyl-phenyl)-benzooxazole;
.jpg)
This reaction needs reagent NBS, (PhCO2)2 and solvent CCl4 and other condition of heating for 5 hours.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c3ccccc3oc1c2ccc(cc2)C
(2) InChI: InChI=1/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
(3) InChIKey: UTMZWCTVPHAOJZ-UHFFFAOYAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 1gm/kg (1000mg/kg) | Chimica Therapeutica. Vol. 6, Pg. 126, 1971 |