Benzoxazole,2,6-dimethyl- supplier

Name
2,6-DIMETHYLBENZOXAZOLE, 99.5+%
EINECS
CAS No. 53012-61-6
Article Data18
CAS DataBase
Density 1.113 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 224.2 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 85.1 °C
Transport Information
Appearance clear yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethylbenzoxazole;
PSA 26.03000
LogP 2.44460

Benzoxazole,2,6-dimethyl- Specification

The Benzoxazole,2,6-dimethyl-, with the CAS registry number 53012-61-6, is also known as 2,6-Dimethylbenzoxazole. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17386. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Dimethyl-1,3-benzoxazole. It should be kept in a cold and dry place.

Physical properties about Benzoxazole,2,6-dimethyl- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.94; (6)ACD/BCF (pH 7.4): 31.95; (7)ACD/KOC (pH 5.5): 415.32; (8)ACD/KOC (pH 7.4): 415.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.13 cm³; (15)Molar Volume: 132.1 cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.113 g/cm³; (18)Flash Point: 85.1 °C; (19)Enthalpy of Vaporization: 44.19 kJ/mol; (20)Boiling Point: 224.2 °C at 760 mmHg; (21)Vapour Pressure: 0.138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccc(cc2oc1C)C
(2) InChI: InChI=1/C9H9NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3
(3) InChIKey: VIJYHDMLYXAHEV-UHFFFAOYAT

Product Name

2,6-DIMETHYLBENZOXAZOLE, 99.5+%

Benzoxazole,2,6-dimethyl- Specification

Related Products

Hot Products