2,2-Difluoro-7-oxabicyclo[4.1.0]heptane
Basic information
- CAS
1109284-38-9- Standard SMILES
FC1(F)CCCC2OC21- InChIKey
OSKDANUBQCCDRI-UHFFFAOYSA-N- Molecular formula
- C6H8F2O
- Average molar mass
- 134.12 g/mol
- Monoisotopic mass
- 134.0543212
Names & identifiers
- Preferred name
- 2,2-Difluoro-7-oxabicyclo[4.1.0]heptane
- IUPAC
- 2,2-difluoro-7-oxabicyclo[4.1.0]heptane
- English name
- 2,2-Difluoro-7-oxa-bicyclo[4.1.0]heptane
- Molecular formula
- C6H8F2O
- Molecular weight
- 134.12
Names & synonyms
2,2-Difluoro-7-oxabicyclo[4.1.0]heptane1109284-38-9DTXSID106949792,2-Difluoro-7-oxabicyclo(4.1.0)heptaneRefChem:243301DTXCID50645728845-732-92,2-DIFLUORO-7-OXA-BICYCLO[4.1.0]HEPTANE5,5-difluoro-7-oxabicyclo[4.1.0]heptaneMFCD17926414SCHEMBL1691551AKOS016011272
Show more names
AS-37833SY25807822-Difluoro-7-oxabicyclo[4.1.0]heptaneDB-181535CS-01715767-Oxabicyclo[4.1.0]heptane, 2,2-difluoro-F050150
Database identifiers
- CAS
1109284-38-9- PubChem CID
- 53402014
- DTXSID
DTXSID10694979- EC Number
- 845-732-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 120.5 · 120.5±20.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- InChI
- InChI=1S/C6H8F2O/c7-6(8)3-1-2-4-5(6)9-4/h4-5H,1-3H2
- InChIKey
- OSKDANUBQCCDRI-UHFFFAOYSA-N
- SMILES
- C12C(O1)CCCC2(F)F
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H315-H331-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+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)
- GHS07,GHS06
- Hazard statements
- H301-H311-H315-H331-H319-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,2-Difluoro-7-oxa-bicyclo[4.1.0]heptane is used in preparation of cycloalkyl urea derivative as orexin type-2 receptor agonist.
Related reactions
5 records
Compound notes
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