2,2-Difluorocycloheptanone
Basic information
- CAS
1638830-50-8- Standard SMILES
O=C1CCCCCC1(F)F- InChIKey
IVYFAJDXXQIDPO-UHFFFAOYSA-N- Molecular formula
- C7H10F2O
- Average molar mass
- 148.15 g/mol
- Monoisotopic mass
- 148.06997126
Names & identifiers
- Preferred name
- 2,2-Difluorocycloheptanone
- IUPAC
- 2,2-difluorocycloheptan-1-one
- English name
- 2,2-Difluorocycloheptan-1-one
- Molecular formula
- C7H10F2O
- Molecular weight
- 148.15
Names & synonyms
2,2-difluorocycloheptan-1-one1638830-50-82,2-DifluorocycloheptanoneDTXSID201311335RefChem:441131DTXCID301741151856-489-31,1-DIFLUORO-2-OXOCYCLOHEPTANEIVYFAJDXXQIDPO-UHFFFAOYSA-NAKOS026749695CS-0526829EN300-1267292
Show more names
2,2-Difluoro-cycloheptanoneCycloheptanone, 2,2-difluoro-
F2167-4816
Database identifiers
- CAS
1638830-50-8- PubChem CID
- 99769749
- DTXSID
DTXSID201311335- EC Number
- 856-489-3
- Nikkaji
- J3.447.077D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 158 · 158.0±40.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H226-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2914790090 · 2914790090
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
H226 (100%): Flammable liquid and vapor [Warning 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. 3 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H226-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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