-
Name
4-BENZOYLBENZENEBORONIC ACID
- EINECS
- CAS No. 268218-94-6
- Density 1.25 g/cm3
- Solubility
- Melting Point 204-212 °C(lit.)
- Formula C13H11BO3
- Boiling Point 427.9 °C at 760 mmHg
- Molecular Weight 226.04
- Flash Point 212.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
C
- Synonyms Boronicacid, (4-benzoylphenyl)- (9CI);4-Benzoylphenylboronic acid;[4-(Phenylcarbonyl)phenyl]boronic acid;[4-(phenylcarbonyl)phenyl]boronic acid;(4-Benzoylphenyl)boronic acid;boronic acid, B-(4-benzoylphenyl)-;
- PSA 57.53000
- LogP 0.59740
Boronic acid,B-(4-benzoylphenyl)- Specification
The Boronic acid,B-(4-benzoylphenyl)-, with the CAS registry number 268218-94-6, has the systamtic name of [4-(phenylcarbonyl)phenyl]boronic acid. It belongs to the following product categories: Aryl; Boronic Acids and Derivatives; Blocks. It is a kind of corrosive chemcial, and the molecular formula of the chemical is C13H11BO3.
The characteristics of Boronic acid,B-(4-benzoylphenyl)- are as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 50.73; (6)ACD/BCF (pH 7.4): 31.2; (7)ACD/KOC (pH 5.5): 577.11; (8)ACD/KOC (pH 7.4): 354.95; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 62.74 cm3; (15)Molar Volume: 180.5 cm3; (16)Polarizability: 24.87×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 212.6 °C; (20)Enthalpy of Vaporization: 72 kJ/mol; (21)Boiling Point: 427.9 °C at 760 mmHg; (22)Vapour Pressure: 4.38E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)c2ccccc2
(2)InChI: InChI=1/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H
(3)InChIKey: CWMIVCCXDVRXST-UHFFFAOYAE
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI)
- Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI)
- Boronic acid, (4-bromo-2-nitrophenyl)-
- Boronic acid, (5-methoxy-2-thienyl)-
- Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, [4-(nonyloxy)phenyl]-(9CI)
- Boronic acid, [4-[5-[4-(dimethylamino)phenyl]-2-oxazolyl]phenyl]-(9CI)
- Boronic acid, 2,5-benzofurandiylbis-
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