2-Oxazolecarbonitrile supplier

Name
2-Oxazolecarbonitrile
EINECS
CAS No. 68776-60-3
Article Data1
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₄H₂N₂O
Boiling Point 165.7 °C at 760 mmHg
Molecular Weight 94.0727
Flash Point 54 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxazole-2-carbonitrile;
PSA 49.82000
LogP 0.54628

2-Oxazolecarbonitrile Specification

The 2-Oxazolecarbonitrile, with the CAS registry number of 68776-60-3, is also known as Oxazole-2-carbonitrile. Its molecular formula is C₄H₂N₂O and molecular weight is 94.07148. What's more, its IUPAC name is 1,3-Oxazole-2-carbonitrile.

Physical properties about the 2-Oxazolecarbonitrile are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.09; (8)ACD/KOC (pH 7.4): 24.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.82 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 21.6 cm³; (15)Molar Volume: 74.7 cm³; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.25 g/cm³; (18)Flash Point: 54 °C; (19)Enthalpy of Vaporization: 40.22 kJ/mol; (20)Boiling Point: 165.7 °C at 760 mmHg; (21)Vapour Pressure: 1.85 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncco1
(2) InChI: InChI=1/C4H2N2O/c5-3-4-6-1-2-7-4/h1-2H
(3) InChIKey: UUAXDPHPSHEGQQ-UHFFFAOYAR

Product Name

2-Oxazolecarbonitrile

2-Oxazolecarbonitrile Specification

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