Basic information
- CAS
1373502-98-7- Standard SMILES
CCOC(=O)CC1CC(F)(F)C1- InChIKey
ZFDFOJNBPPOIJL-UHFFFAOYSA-N- Molecular formula
- C8H12F2O2
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.08053595
Names & identifiers
- Preferred name
- Ethyl 2-(3,3-difluorocyclobutyl)acetate
- IUPAC
- ethyl 2-(3,3-difluorocyclobutyl)acetate
- English name
- ethyl 2-(3,3-difluorocyclobutyl)acetate
- Molecular formula
- C8H12F2O2
- Molecular weight
- 178.18
Names & synonyms
Ethyl 2-(3,3-difluorocyclobutyl)acetate1373502-98-7RefChem:593722895-351-7ZFDFOJNBPPOIJL-UHFFFAOYSA-N
Database identifiers
- CAS
1373502-98-7- PubChem CID
- 168444591
- EC Number
- 895-351-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 176.4 · 176.4±10.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
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%)
Chemistry & industry
Suppliers2 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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