4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)
Basic information
- CAS
182281-01-2- Standard SMILES
OB(O)c1ccc(OC2CCCCO2)cc1- InChIKey
DMGMCZRNMYQQQB-UHFFFAOYSA-N- Molecular formula
- C11H15BO4
- Average molar mass
- 222.05 g/mol
- Monoisotopic mass
- 222.10633936
Names & identifiers
- Preferred name
- 4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- [4-(oxan-2-yloxy)phenyl]boronic acid
- English name
- 4-(2-Tetrahydropyranyloxy)phenylboronic acid
- Molecular formula
- C11H15BO4
- Molecular weight
- 222.05
Names & synonyms
4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)RefChem:516977672-301-0182281-01-24-(2-tetrahydropyranyloxy)phenylboronic acid(4-((Tetrahydro-2H-pyran-2-yl)oxy)phenyl)boronic acid4-(tetrahydro-2h-pyran-2-yloxy)phenylboronic acid4-Hydroxyphenylboronic acid THP ether[4-(oxan-2-yloxy)phenyl]boronic Acid[4-(Tetrahydro-2H-pyran-2-yloxy)phenyl]boronic acidMFCD021835254-[(Tetrahydropyran-2-yl)oxy]phenylboronic Acid
Show more names
4-HydroxyphenylboronicAKOS BRN-0040p-(THPO)C6H4B(OH)24-[(Tetrahydropyran-2-yL4-HYDROXYBENZENEBORONIC ACID THP ETHER4-Hydroxyphenylboronic acid THP ether,97%4-HYDROXYPHENYLBORONIC ACID THP ETHER 95+%4-(2-Tetrahydropyranyloxy)phenylboronicaci
[4-[(Tetrahydro-2H-pyran-2-yl)oxy]phenyl]boronic acidBoronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-Boronic acid, [4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-4-(Tetrahydro-pyran-2-yloxy)-phenyl boronic acidSCHEMBL852465DTXSID60407551DMGMCZRNMYQQQB-UHFFFAOYSA-N4-hydroxyphenylboronic acid-thp-ether
Database identifiers
- CAS
182281-01-2- PubChem CID
- 5017652
- DTXSID
DTXSID60407551- EC Number
- 672-301-0
- Nikkaji
- J1.910.622E
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 117 · 117-124 °C
- Boiling point
- 411.3 · 411.3±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 8.63 · 8.63±0.16(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2
- InChIKey
- DMGMCZRNMYQQQB-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(OC2OCCCC2)C=C1)(O)O
- CAS DataBase Reference
- 182281 · 182281-01-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29329990
- risk_code
- 36/37/38-20/21/22-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-37/39-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Uses[4-[(Tetrahydro-2H-pyran-2-yl)oxy]phenyl]boronic Acid is a reagent in the synthesis diclhoroacetamide analogs displaying high anti-cancer avtivity. Also used in the synthesis of organic semiconductors.
Upstream & downstream products
Upstream raw materials
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Related reactions
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