2,2,3,3-Tetrafluorocyclobutanemethanol
Basic information
- CAS
378-17-6- Standard SMILES
OCC1CC(F)(F)C1(F)F- InChIKey
DIXNZPIYNXRZEQ-UHFFFAOYSA-N- Molecular formula
- C5H6F4O
- Average molar mass
- 158.09 g/mol
- Monoisotopic mass
- 158.03547746
Names & identifiers
- Preferred name
- 2,2,3,3-Tetrafluorocyclobutanemethanol
- IUPAC
- (2,2,3,3-tetrafluorocyclobutyl)methanol
- English name
- 2,2,3,3-tetrafluorocyclobutanemethanol
- Molecular formula
- C5H6F4O
- Molecular weight
- 158.09
Names & synonyms
2,2,3,3-Tetrafluorocyclobutanemethanol2,2,3,3-TetrafluorocyclobutylmethanolCyclobutanemethanol, 2,2,3,3-tetrafluoro-EINECS 206-823-3DTXSID80880140RefChem:80823DTXCID901021735206-823-3(2,2,3,3-tetrafluorocyclobutyl)methanol378-17-6MFCD00039435Cyclobutanemethanol,2,2,3,3-tetrafluoro-
Show more names
SCHEMBL4145136SCHEMBL15022776AKOS000122420AB86543AT20683BS-13199SY138352NS00019040
Database identifiers
- CAS
378-17-6- PubChem CID
- 101666
- DTXSID
DTXSID80880140- EC Number
- 206-823-3
- Nikkaji
- J213.598A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 153 · 153-155 °C
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 15.05 · 15.05±0.10(Predicted)
- EPA Substance Registry System
- 2 · Cyclobutanemethanol, 2,2,3,3-tetrafluoro- (378-17-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- TSCA
- TSCA listed
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
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclobutanemethanol, 2,2,3,3-tetrafluoro-: INACTIVE
Applications
Uses(2,2,3,3-Tetrafluorocyclobutyl)methanol is used as a reagent or reactant for various purposes, such as, inhibition of bacterial NAD+ dependent DNA ligase, use as antibacterial agents, and to treat various diseases.
Suppliers
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Related reactions
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Compound notes
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