(Oxetan-3-ylidene)acetonitrile supplier

Name
2-(Oxetan-3-ylidene)acetonitrile
EINECS
CAS No. 1123787-67-6
Article Data12
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point 56-58℃
Formula C₅H₅NO
Boiling Point 216 °C at 760 mmHg
Molecular Weight 95.0993
Flash Point 88.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(Oxetan-3-ylidene)acetonitrile;
PSA 33.02000
LogP 0.46658

(Oxetan-3-ylidene)acetonitrile Specification

The (Oxetan-3-ylidene)acetonitrile has CAS registry number 1123787-67-6. This chemical's molecular formula is C₅H₅NO and molecular weight is 95.0993. What's more, its systematic name is 2-(Oxetan-3-ylidene)acetonitrile.

Physical properties about (Oxetan-3-ylidene)acetonitrile are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.51; (5)ACD/KOC (pH 7.4): 13.51; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 33.02 Å²; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 26.23 cm³; (12)Molar Volume: 72.6 cm³; (13)Polarizability: 10.4×10^-24 cm³; (14)Surface Tension: 75.7 dyne/cm; (15)Density: 1.309 g/cm³; (16)Flash Point: 88.4 °C; (17)Enthalpy of Vaporization: 45.24 kJ/mol; (18)Boiling Point: 216 °C at 760 mmHg; (19)Vapour Pressure: 0.143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C(=CC#N)CO1
(2) InChI: InChI=1/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
(3) InChIKey: DSKHBLMKLTZNRU-UHFFFAOYAA

Product Name

2-(Oxetan-3-ylidene)acetonitrile

(Oxetan-3-ylidene)acetonitrile Specification

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