Basic information
- CAS
6253-27-6- Standard SMILES
C1=CCC2OC2C1- InChIKey
QLQSJLSVPZCPPZ-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751487
Overview
structure in first source
Names & identifiers
- Preferred name
- 7-Oxabicyclo(4.1.0)hept-3-ene
- IUPAC
- 7-oxabicyclo[4.1.0]hept-3-ene
- English name
- 1, 2-Epoxyucyclohex-4-ene
- Molecular formula
- C6H8O
- Molecular weight
- 96.13
Names & synonyms
7-Oxabicyclo[4.1.0]hept-3-ene6253-27-64,5-Epoxycyclohexene7-Oxabicyclo(4.1.0)hept-3-eneNSC-116459NSC-19623965C2XC3F3J4,5-ECHDTXSID70978121RefChem:96558DTXCID201405447978-561-4
Show more names
1, 2-Epoxyucyclohex-4-ene
1,4-cyclohexadiene monoepoxide1,2-Epoxy-4-cyclohexene1,4-Cyclohexadiene 1,2-oxide1,2-Epoxyucyclohex-4-ene1,2-oxideCyclohexene,5-epoxy-Cyclohexene-4,5-epoxideCyclohexene, 4,5-epoxy-
Database identifiers
- CAS
6253-27-6- PubChem CID
- 97341
- DTXSID
DTXSID70978121- ChEMBL
CHEMBL3276058- UNII
- 65C2XC3F3J
- EC Number
- 978-561-4
- Nikkaji
- J59.421K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 94.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 41 · 41-43 °C(Press: 14 Torr)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colorless
- Stability
- Smelly, Volatile Product
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Applications
Uses1,4-Cyclohexadiene Monoepoxide is a synthetic intermediate. It is used as a reactant in the enantioselective formal synthesis of 4-demethoxydaunomycin. Also used in the asymmetric synthesis of β-amino and vicinal amino alcohols.
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
1 records
Compound notes
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