Basic information
- CAS
4688-76-0- Standard SMILES
OB(O)c1ccccc1-c1ccccc1- InChIKey
HYCYKHYFIWHGEX-UHFFFAOYSA-N- Molecular formula
- C12H11BO2
- Average molar mass
- 198.03 g/mol
- Monoisotopic mass
- 198.08520999
Names & identifiers
- Preferred name
- Biphenyl-2-boronic acid
- IUPAC
- (2-phenylphenyl)boronic acid
- English name
- 2-Biphenylboronic acid
- Molecular formula
- C12H11BO2
- Molecular weight
- 198.03
Names & synonyms
Biphenyl-2-boronic acidRefChem:568381670-315-12-Biphenylboronic acid4688-76-0(2-phenylphenyl)boronic Acid[1,1'-biphenyl]-2-ylboronic acid2-BiphenylboronicacidMFCD00136929o-biphenylboronic acid2-PHENYLBENZENEBORONIC ACID1,1'-biphenyl-2-boronic acid
Show more names
AKOS BRN-01542-BoronobiphenylTIMTEC-BB SBB005895Biphenylboronic acid2-BIPHENYLBORONIC AC2-BiphenylboronicaciBiphenyl-2-bronic acid2- biphenyl boric acid2-Diphenylboronic acid
BDBM26137DTXSID20404607AB03772AC-1956SY033281Z1255450311biphenyl-2-ylboronic acid(2-Phenylphenyl)Boranediol
Database identifiers
- CAS
4688-76-0- PubChem CID
- 4589187
- DTXSID
DTXSID20404607- ChEMBL
CHEMBL467355- EC Number
- 670-315-1
- Nikkaji
- J666.429F
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 167 · 167-172 °C (lit.)
- Boiling point
- 404 · 404.0±38.0 °C(Predicted)
- Density
- 1.18 · 1.18
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- 8.5 · 8.50±0.58(Predicted)
- form
- Powder or Low Melting Solid
- color
- White to yellow
- Water Solubility
- Insoluble in water.
- λmax
- 250 nm · 250nm(CH2Cl2)(lit.)
- BRN
- 3031806 · 3031806
- InChI
- InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
- InChIKey
- HYCYKHYFIWHGEX-UHFFFAOYSA-N
- SMILES
- B(C1=CC=CC=C1C1=CC=CC=C1)(O)O
- CAS DataBase Reference
- 4688 · 4688-76-0(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29310095
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36-60-37
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesReactant involved in:Suzuki-Miyaura cross-coupling reactions with arylhalides, dibromovinyl precursors, alkenyl tosylates and mesylates, and quinoline carboxylatesIntramolecular Friedel-Crafts alkylation for synthesis of chiral tetralinsHydroxylation to phenolsOxidative coupling iwth alkynes
Uses2-Biphenylboronic acid is a substrate used in a palladium-catalyzed cross-coupling with benzylic acetates providing diarylmethanes.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH
Related reactions
39 records
Compound notes
Loading…