Basic information
- CAS
2941-29-9- Standard SMILES
N#CC1CCCC1=O- InChIKey
IPMQSLPLJDKUPI-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 2-Oxocyclopentane-1-carbonitrile
- IUPAC
- 2-oxocyclopentane-1-carbonitrile
- English name
- Cyclopentanone-2-carbonitrile
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
2-oxocyclopentane-1-carbonitrileRefChem:477786640-208-4Cyclopentanone-2-carbonitrile2941-29-92-OxocyclopentanecarbonitrileCyclopentanecarbonitrile, 2-oxo-2-Cyanocyclopentanone138260-51-2CianociclopentanoneMFCD001548382-Cyancyclopentanon
Show more names
110855AKOS MSC-01311-Cyano-2-oxocyclopentane2-oxo-cyclopentanecarbonitril2-ketocyclopentanecarbonitrile2-oxo-1-cyclopentanecarbonitrile
C6H7NOCianociclopentanone [Italian]NSC 146861BRN 09071122-Oxocyclopentanecarbonitrile; 2-Cyano-1-cyclopentanone; 2-Cyanocyclopentanone; 2-Oxocyclopentane-1-carbonitrile; NSC 146861;NSC146861Cianociclopentanone [Ital2-Cyano-1-cyclopentanone
Database identifiers
- CAS
2941-29-9- PubChem CID
- 98930
- DTXSID
DTXSID60875655- EC Number
- 640-208-4
- Nikkaji
- J622.816J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 229 · 229-230 °C
- Density
- 1.089 g/cm3 · 1.089 g/cm3(Temp: 414 °C)
- storage temp.
- Sealed in dry,Room Temperature
- form
- viscous liquid
- color
- Clear, colourless
- InChI
- InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2
- InChIKey
- IPMQSLPLJDKUPI-UHFFFAOYSA-N
- SMILES
- C1(C#N)CCCC1=O
- CAS DataBase Reference
- 2941 · 2941-29-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Hazard Note
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
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 2926907090
- Toxicity
- guinea pig,LD50,subcutaneous,126mg/kg (126mg/kg),BEHAVIORAL: TREMORGASTROINTESTINAL: NAUSEA OR VOMITINGBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesCyclopentanone-2-carbonitrile is a useful research chemical. It acts as a reagent in the preparation of quinolines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers89 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特（成都）生物制药股份有限公司
Related reactions
15 records
Compound notes
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