2-[2-(4-Fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic information
- CAS
1065498-70-5- Standard SMILES
CC1(C)OB(CCc2ccc(F)cc2)OC1(C)C- InChIKey
PGTWKGNGGMDHAG-UHFFFAOYSA-N- Molecular formula
- C14H20BFO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 250.1540382
Names & identifiers
- Preferred name
- 2-[2-(4-Fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 1,3,2-Dioxaborolane, 2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-
- Molecular formula
- C14H20BFO2
- Molecular weight
- 250.12
Names & synonyms
2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(2-(4-fluorophenyl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:452941875-475-81065498-70-52-(4-Fluorophenethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAGN-PC-00CP71SCHEMBL2123915DTXSID60469452MFCD22188788EN300-12596889Z2049747163
Show more names
2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3, 2-dioxaborolane1,3,2-Dioxaborolane, 2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-
Database identifiers
- CAS
1065498-70-5- PubChem CID
- 11614571
- DTXSID
DTXSID60469452- EC Number
- 875-475-8
- Nikkaji
- J3.073.423H
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 295.1 · 295.1±23.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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