4-(Diphenylamino)phenylboronic acid supplier

Name
4-(Diphenylamino)phenylboronic acid
EINECS
CAS No. 201802-67-7
Article Data65
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 110-115 °C
Formula C₁₈H₁₆BNO₂
Boiling Point 484.52 °C at 760 mmHg
Molecular Weight 289.142
Flash Point 246.829 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [4-(diphenylamino)phenyl]- (9CI);4-(Diphenylamino)benzeneboronic acid;4-(N,N-Diphenylamino)-1-phenylboronic acid;4-(N,N-Diphenylamino)phenyl boronicacid;[4-(Diphenylamino)phenyl]boronic acid;
PSA 43.70000
LogP 2.83620

4-(Diphenylamino)phenylboronic acid Specification

The systematic name of 4-(Diphenylamino)phenylboronic acid is boronic acid, B-[4-(diphenylamino)phenyl]-. With the CAS registry number 201802-67-7, it is also named as Triphenylamine-4-boronic acid. The product's categories are Blocks; Boronic Acids; B (Classes of Boron Compounds); Triphenylamine Series; Phenylamine Series; Aryl; Boronic Acids and Derivatives. And the molecular formula of the chemical is C₁₈H₁₆BNO₂.

The other characteristics of 4-(Diphenylamino)phenylboronic acid can be summarized as: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4509; (6)ACD/BCF (pH 7.4): 4300; (7)ACD/KOC (pH 5.5): 14358; (8)ACD/KOC (pH 7.4): 13692; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.7 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 86.589 cm³; (15)Molar Volume: 233.176 cm³; (16)Polarizability: 34.327×10^-24cm³; (17)Surface Tension: 58.163 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 246.829 °C; (20)Enthalpy of Vaporization: 78.98 kJ/mol; (21)Boiling Point: 484.52 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:OB(O)c1ccc(cc1)N(c2ccccc2)c3ccccc3
2. InChI:InChI=1/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
3. InChIKey:TWWQCBRELPOMER-UHFFFAOYAD
4. Std. InChI:InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
5. Std. InChIKey:TWWQCBRELPOMER-UHFFFAOYSA-

Product Name

4-(Diphenylamino)phenylboronic acid

4-(Diphenylamino)phenylboronic acid Specification

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