4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

HCID 2734624CAS 269409-70-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)OB(c2ccc(O)cc2)OC1(C)C
InChIKey
BICZJRAGTCRORZ-UHFFFAOYSA-N
Molecular formula
C12H17BO3
Average molar mass
220.07 g/mol
Monoisotopic mass
220.1270748

Names & identifiers

Preferred name
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
English name
4-Hydroxyphenylboronic acid pinacol ester
Molecular formula
C12H17BO3
Molecular weight
220.07

Names & synonyms

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolRefChem:513468627-688-0269409-70-34-Hydroxyphenylboronic acid pinacol esterMFCD020937564-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol(4-HYDROXYPHENYL)BORONIC ACID PINACOL ESTER2-(4-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-hydroxyphenylboronic acid, pinacol esterPHENOL, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-CS-W002879
Show more names
4-HYDROXYBENZENEBORONIC ACID4-(4,4,5,5-Tetramethyl-1,3,2-D4-HYDROXYPHENYLBORONIC ACID PINACOLATE4-Hydroxyphenylboronic acid picol esterHydroxyphenylboronic acid pinacol ester4-Hydroxphenylboronil acid pinaacolaster4-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER
T19544-Hydroxyphenylboronic acid pinacol cyclic ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2yl)phenol4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenolFT-0644217SCHEMBL102562orb2940411

Database identifiers

CAS
269409-70-3
PubChem CID
2734624
DTXSID
DTXSID70370404
UNII
S6BC78LC96
EC Number
627-688-0
Nikkaji
J2.278.414E

Properties

Computed structural properties

Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
113 · 113-117 °C (lit.)
Boiling point
333.8 · 333.8±25.0 °C(Predicted)
Density
1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Acetonitrile, DMSO, Methanol
pka
9.61 · 9.61±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 3.8% (2 of 53) of reports.

Warning

H315 (94.3%): 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 29-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31721
Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
No
hs_code
29319090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Usessuzuki reaction

Uses4-Hydroxyphenylboronic acid pinacol ester is widely used in Suzuki coupling chemistry.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

181 records
New reaction record

Linked notes

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