(S)-Tetrahydrofuran-2-carbonitrile
Basic information
- CAS
539820-24-1- Standard SMILES
N#C[C@@H]1CCCO1- InChIKey
RZZIKHSWRWWPAN-YFKPBYRVSA-N- Molecular formula
- C5H7NO
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.05276385
Names & identifiers
- Preferred name
- (S)-Tetrahydrofuran-2-carbonitrile
- IUPAC
- (2S)-oxolane-2-carbonitrile
- English name
- (s)-tetrahydrofuran-2-carbonitrile
- Molecular formula
- C5H7NO
- Molecular weight
- 97.12
Names & synonyms
(S)-Tetrahydrofuran-2-carbonitrile539820-24-1RefChem:408249634-877-1(2S)-oxolane-2-carbonitrileSCHEMBL4898301AKOS006294394(s)-tetrahydrofurfurylnitrile(S)-Tetrahydrofuroic acid nitrile2-Furancarbonitrile, tetrahydro-, (2S)-(S)-Tetrahydrofurfurylnitrile, (S)-Tetrahydrofuroic acid nitrile
Database identifiers
- CAS
539820-24-1- PubChem CID
- 7204859
- EC Number
- 634-877-1
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 207.4 · 207.4±33.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H335-H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-36/37/38-43-37-36-22
- Safety Statements
- 16 · 16-26-36-36/37/39
- RIDADR
- 3273 · UN3273 3/PG 2
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 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- ridadr
- UN3273 3/PG 2
- risk_code
- 11-20/21/22-36/37/38-43-37-36-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- F,Xn
- safety_code
- 16-26-36-36/37/39
- Hazard statements
- H317-H335-H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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