2-methylbenzoxazole
Structural formula
| Physical competition number | 028S |
|---|---|
| Molecular formula | C8H7NO |
| Molecular weight | 133.15 |
| label |
2-methylbenzoxazole, 2-methylbenzoxazole, 2-methyl-Benzoxazole |
Numbering system
CAS number:95-21-6
MDL number:MFCD00005771
EINECS number:202-399-9
RTECS number:DM4850000
BRN number:112297
PubChem number:24846841
Physical property data
1. Properties: colorless or light yellow liquid.
2. Density (g/mL, 20℃): 1.1211
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 8-10
5. Boiling point (ºC, normal pressure): 200-201
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: 1.5479
8. Flash point (ºC): 75
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa ,ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15 . Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in ethanol and ether, insoluble in water.
Toxicological data
1. Skin/eye irritation
Standard Draize test: rabbit, skin contact: 2mg/24H, severity of reaction: severe.
Standard Draize test: Rabbit, eye contact: 250μg/24H, severity of reaction: severe.
2. Acute toxicity: Mouse oral LD40: 400mg/kg; Mouse oral LD50: 400mg/kg;
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 39.31
2. Molar volume (cm3/mol): 115.8
3. Isotonic specific volume (90.2K ): 296.8
4. Surface tension (dyne/cm): 43.1
5. Polarizability (10-24cm3): 15.58
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 126
10.The number of isotope atoms: 0
11. The number of determined atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Sensitive to light. Corrosive. Avoid contact with oxides and light.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep away from sources of fire. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
Organic synthesis, dye synthesis, pharmaceutical industry.
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