4,4'-Biphenyldiboronicacid
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4,4'-Biphenyldiboronicacid
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CAS No:
4151-80-8
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Formula:
C12H12B2O4
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Chemical Name:
4,4'-Biphenyldiboronicacid
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Synonyms:
4,4'RARECHEMAHPB0032;4,4'-Diboronobiphenyl;-Biphenyldiboronicacid;4,4'-Biphenylboronicacid;4,4-BIPHENYLDIBORONICACID;4,4'-BIPHENYLDIBORONICACID;BIPHENYL-4,4'-DIBORONICACID;4,4'-Biphenyldiboronicacid;4,4'-biphenylenediboronicacid
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CAS No:
4,4'-Biphenyldiboronicacid Basic Attributes
241.84
242.092178
2941876
OS4M710QCG
DTXSID40370390
2916399090
Characteristics
80.9
1.3±0.1 g/cm3
300 °C (dec.)(lit.)
505.9°C at 760 mmHg
259.7±32.9 °C
1.620
soluble in water.
Safety Information
NONH for all modes of transport
3
36/37/38-22
37/39-26-`37
Xn,C
Corrosive
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,4'-Biphenyldiboronicacid Use and Manufacturing
To a solution of 4, 4'-dibromo-l, l'-biphenyl (5. OOg, 16.03 mmol) in dry THF (100 mL) was added dropwise n-butylithium (1.0M solution in hexane, 40.1 mL, 64.1 mmol) at -78°C and stirred for Ihr. The reaction mixture was warm to -30°C and dropwise added trimethyl borate (4.83 mL, 43.3 mmol) and allowed to stir at room temperature for Ihr. Then the reaction mixture was acidified to pH=2 by 1.5 N HCl. The precipitate was filtered to obtained [l, l'-biphenyl]-4, 4'-diyldiboronic acid (2.5 g, 10.34 mmol, 64.5 percent yield) as off white solid. NMR (DMSO-d
Computed Properties
Molecular Weight:241.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:242.0921692
Monoisotopic Mass:242.0921692
Topological Polar Surface Area:80.9
Heavy Atom Count:18
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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