1-[2-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Basic information
- CAS
1417036-29-3- Standard SMILES
CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C- InChIKey
WODKMNDPLZUKBH-UHFFFAOYSA-N- Molecular formula
- C15H21BO3
- Average molar mass
- 260.14 g/mol
- Monoisotopic mass
- 260.1583747
Names & identifiers
- Preferred name
- 1-[2-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
- IUPAC
- 1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
- English name
- 1-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
- Molecular formula
- C15H21BO3
- Molecular weight
- 260.14
Names & synonyms
1417036-29-31-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone1-[2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ETHANONE1-(2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one1-(2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanoneSCHEMBL21682776SCHEMBL38671496SGC03629MFCD18732917XH0321BS-30866
Show more names
Ethanone, 1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
DB-374881CS-0176855EN300-73922851-Acetyl-2-methylbenzene-4-boronic Acid Pinacol EsterZ20447666091-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one
Database identifiers
- CAS
1417036-29-3- PubChem CID
- 75487196
- EC Number
- 118-250-5
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 376.8 · 376.8±35.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Suppliers
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Related reactions
1 records
Compound notes
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