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6797-13-3

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Basic Information
CAS No.: 6797-13-3
Name: 2-ETHYL-BENZOOXAZOLE
Article Data: 53
Molecular Structure:
Molecular Structure of 6797-13-3 (2-ETHYL-BENZOOXAZOLE)
Formula: C9H9 N O
Molecular Weight: 147.177
Synonyms: 2-Ethylbenzoxazole
Density: 1.111g/cm3
Boiling Point: 217.3°C at 760 mmHg
Flash Point: 81.8°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 26.03000
LogP: 2.39020
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Chemistry

Product Name: 2-Ethylbenzoxazole (CAS NO.6797-13-3)


Molecular Formula: C9H9NO
Molecular Weight: 147.17386g/mol
Mol File: 6797-13-3.mol
Einecs: 229-868-0
Boiling point: 217.3 °C at 760 mmHg
Flash Point: 81.8 °C
Density: 1.111 g/cm3
Surface Tension: 41.4 dyne/cm
Enthalpy of Vaporization: 43.52 kJ/mol
Vapour Pressure: 0.197 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Topological Polar Surface Area: 26
Heavy Atom Count: 11
Complexity: 138
Covalently-Bonded Unit Count: 1

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD40 oral 1gm/kg (1000mg/kg)   Journal of the American Chemical Society. Vol. 67, Pg. 905, 1945.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 2-Ethylbenzoxazole ,its CAS NO. is 6797-13-3,the synonyms is Benzoxazole, 2-ethyl- ; 4-27-00-01098 (Beilstein Handbook Reference) ; 2-Ethyl-1,3-benzoxazole .