3-Oxetanylideneacetonitrile

Modify Date: 2024-01-11 05:08:15

3-Oxetanylideneacetonitrile Structure
3-Oxetanylideneacetonitrile structure
Common Name 3-Oxetanylideneacetonitrile
CAS Number 1123787-67-6 Molecular Weight 95.099
Density 1.3±0.1 g/cm3 Boiling Point 216.0±33.0 °C at 760 mmHg
Molecular Formula C5H5NO Melting Point 61-65°C
MSDS Chinese USA Flash Point 88.4±19.3 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-(Oxetan-3-ylidene)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 216.0±33.0 °C at 760 mmHg
Melting Point 61-65°C
Molecular Formula C5H5NO
Molecular Weight 95.099
Flash Point 88.4±19.3 °C
Exact Mass 95.037117
PSA 33.02000
LogP -0.45
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.642
Storage condition 2-8°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Hazard Codes Xi
RIDADR NONH for all modes of transport

 Synthetic Route

~60%

3-Oxetanylideneacetonitrile Structure

3-Oxetanylidene...

CAS#:1123787-67-6

Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda, S.; CHAND, Pooran; KOTIAN, Pravin, L.; KUMAR, V., Satish Patent: WO2010/14930 A2, 2010 ; Location in patent: Page/Page column 63 ; WO 2010/014930 A2

~83%

3-Oxetanylideneacetonitrile Structure

3-Oxetanylidene...

CAS#:1123787-67-6

Literature: Wuitschik, Georg; Carreira, Erick M.; Wagner, Bjoern; Fischer, Holger; Parrilla, Isabelle; Schuler, Franz; Rogers-Evans, Mark; Mueller, Klaus Journal of Medicinal Chemistry, 2010 , vol. 53, # 8 p. 3227 - 3246

 Synonyms

Oxetan-3-ylideneacetonitrile
2-(3-Oxetanylidene)acetonitrile
3-Oxetanylideneacetonitrile
2-(oxetan-3-ylidene)acetonitrile
Acetonitrile, 2-(3-oxetanylidene)-