Bicyclo[4.1.0]heptan-2-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
5771-58-4- Standard SMILES
O=C1CCCC2CC12- InChIKey
CINFRRXNDRBHMD-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- Bicyclo[4.1.0]heptan-2-one
- IUPAC
- bicyclo[4.1.0]heptan-2-one
- English name
- Bicyclo[4.1.0]heptan-2-one
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
Bicyclo[4.1.0]heptan-2-one5771-58-42-NorcaranoneDTXSID50300325Bicyclo(4.1.0)heptan-2-oneRefChem:329382DTXCID10251460CINFRRXNDRBHMD-UHFFFAOYSA-NMFCD09866571NSC135954bicyclo[4.1.0]heptanoneNSC-135954
Show more names
Norcaran-2-one5-bicyclo[4.1.0]heptanoneBICYCLO[4.1.0]HEPTAN-5-ONEBicyclo[4.1.0]heptan-2-one - [B13672]
SCHEMBL62747Bicyclo[4.1.0]hept-2-oneH4FJ5445LMcis-Bicyclo[4.1.0]heptan-2-oneZB1081AKOS022504380SB11967AS-50657
Database identifiers
- CAS
5771-58-4- PubChem CID
- 282471
- DTXSID
DTXSID50300325- UNII
- H4FJ5445LM
- EC Number
- 189-010-5
- Nikkaji
- J110.389J
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 85 · 85.0-85.5 °C(Press: 10 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- optical activity
- -1.11 ° · -1.11°(C=1.3 g/100ml CHCL3)
- CAS DataBase Reference
- 5771 · 5771-58-4
- FDA UNII
- 4 FJ5445LM · H4FJ5445LM
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
- HS Code
- 2914290090 · 2914290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914290090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesBicyclo[4.1.0]heptan-2-one (cas# 5771-58-4) is a product of a single step reaction between 2-Cyclohexen-1-one (cas# 930-68-7) and Trimethylsulfoxonium Iodide (cas# 1774-47-6). Bicyclo[4.1.0]heptan-2-one is used for biological research on anti-inflammatory and analgesic potentials of Habenaria digitata.
Related reactions
1 records
Compound notes
Loading…