4,4'-Biphenyldiboronic acid supplier

Name
4,4'-Biphenyldiboronic acid
EINECS
CAS No. 4151-80-8
Article Data11
CAS DataBase
Density 1.31g/cm³
Solubility Soluble in water.
Melting Point 300 °C (dec.)
Formula C₁₂H₁₂B₂O₄
Boiling Point 505.9 °C at 760 mmHg
Molecular Weight 241.847
Flash Point 259.7 °C
Transport Information
Appearance white to light yellow crystal powde
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols XnC
Synonyms 4,4'-Biphenyldiboronicacid (7CI,8CI);Boronic acid, [1,1'-biphenyl]-4,4'-diylbis- (9CI);4,4'-(Dihydroxyboryl)-1,1'-biphenyl;4,4'-Biphenyldiyldiboronic acid;4,4'-Biphenylene diboronic acid;4,4'-Bis(phenylboronic acid);
PSA 80.92000
LogP -1.28680

4,4'-Biphenyldiboronic acid Specification

The 4,4'-Biphenyldiboronic acid with the cas number 4151-80-8 is also called Boronic acid,B,B'-[1,1'-biphenyl]-4,4'-diylbis-. The systematic name is biphenyl-4,4'-diyldiboronic acid. Its molecular formula is C₁₂H₁₂B₂O₄. This chemical belongs to the following product categories: (1)Heterocyclic Compounds; (2)Aryl;Boronic acid; (3)Organoborons; (4)B (Classes of Boron Compounds); (5)Boronic Acids.

The properties of the chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 68.34; (6)ACD/BCF (pH 7.4): 59.86; (7)ACD/KOC (pH 5.5): 715.55; (8)ACD/KOC (pH 7.4): 626.8; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 64.53 cm³; (15)Molar Volume: 183.6 cm³; (16)Polarizability: 25.58×10^-24cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Enthalpy of Vaporization: 81.67 kJ/mol; (19)Vapour Pressure: 4.69×10^-11 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
(3)InChIKey: SLHKDOGTVUCXKX-UHFFFAOYAW

Product Name

4,4'-Biphenyldiboronic acid

4,4'-Biphenyldiboronic acid Specification

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