Basic information
- CAS
269409-97-4- Standard SMILES
CC1(C)OB(c2ccccc2O)OC1(C)C- InChIKey
VLROJECCXBBKPZ-UHFFFAOYSA-N- Molecular formula
- C12H17BO3
- Average molar mass
- 220.07 g/mol
- Monoisotopic mass
- 220.1270748
Names & identifiers
- Preferred name
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- IUPAC
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- English name
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- Molecular formula
- C12H17BO3
- Molecular weight
- 220.07
Names & synonyms
269409-97-42-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID50370402RefChem:251767DTXCID30321437671-854-52-Hydroxyphenylboronic acid pinacol esterMFCD020937542-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenol2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2-(2-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanephenol, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Show more names
St5405622522554_Aldrich2-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER2-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER2-Hydroxyphenylboronic acid pinacol ester 98%2-HYDROXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,97%
2-Hydroxybenzeneboronic acid pinacol ester2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol522554_ALDRICH, 2-Hydroxyphenylboronic acid pinacol ester, ST5405622, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 269409-97-4MY22UL2B7N(2-HYDROXYPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL3338692-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenol2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
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
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 282 °C · 282 °C(lit.)
- Density
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 230 °F · 230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- liquid
- pka
- 10.17 · 10.17±0.35(Predicted)
- color
- pale yellow
- InChI
- 1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
- InChIKey
- VLROJECCXBBKPZ-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccccc2O
- CAS DataBase Reference
- 269409 · 269409-97-4(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 (89.1%): 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)
Aggregated GHS information provided per 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- wgk
- 3
- tsca
- No
- hs_code
- 29319090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant involved in:Synthesis of indolo-fused heterocyclic inhibitors of polymerase enzyme of hepatitis CStudies of pi-interactions, electronic structure and transient UV absorption of subphthalocyanine-borate-bridged ferrocene-fullerene conjugatesSynthesis of subphthalocyanine and fused-ring nicotine derivativesSuzuki-Miyaura coupling-triflation sequence, reduction and salt formation for synthesis of hydroxylated oligoarene phosphines
Uses2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)phenol can be widely used in Suzuki coupling chemistry.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司
Related reactions
42 records
Compound notes
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