Basic information
- CAS
27512-26-1- Standard SMILES
N#CC1CCOC1=O- InChIKey
WYTQEBFRBDRPOE-UHFFFAOYSA-N- Molecular formula
- C5H5NO2
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.0320284
Names & identifiers
- Preferred name
- 2-Oxooxolane-3-carbonitrile
- IUPAC
- 2-oxooxolane-3-carbonitrile
- English name
- TETRAHYDRO-2-OXO-3-FURANCARBONITRILE
- Molecular formula
- C5H5NO2
- Molecular weight
- 111.1
Names & synonyms
2-oxooxolane-3-carbonitrileRefChem:477790861-083-427512-26-1Tetrahydro-2-oxo-3-furancarbonitrile2-Oxotetrahydrofuran-3-carbonitrile3-Furancarbonitrile, tetrahydro-2-oxo-CyanbutyrolactonSCHEMBL1669047SCHEMBL2043722SCHEMBL2047712DTXSID50408471
Show more names
AKOS0002081202-oxo-3,4,5-trihydrofuran-3-carbonitrileDB-082092CS-0230222ST50993039EN300-102785
Database identifiers
- CAS
27512-26-1- PubChem CID
- 5113487
- DTXSID
DTXSID50408471- EC Number
- 861-083-4
- Nikkaji
- J1.719.428C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 176 · 176-178 °C(Press: 8 Torr)
- Density
- 1.2501 g/cm3 · 1.2501 g/cm3
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H301-H311
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H331-H301-H311
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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