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CAS No.: | 40138-16-7 |
---|---|
Name: | 2-Formylbenzeneboronic acid |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H7BO3 |
Molecular Weight: | 149.942 |
Synonyms: | Benzeneboronicacid, o-formyl- (6CI,7CI);Boronic acid, (2-formylphenyl)- (9CI);2-Boronobenzaldehyde;2-Formylbenzeneboronic acid;NSC 157839;o-Formylbenzeneboronic acid;o-Formylphenylboronic acid; |
EINECS: | -0 |
Density: | 1.24 g/cm3 |
Melting Point: | 115-120 °C(lit.) |
Boiling Point: | 355.7 °C at 760 mmHg |
Flash Point: | 169 °C |
Appearance: | light yellow to tan powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 57.53000 |
LogP: | -0.82110 |
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The CAS registry number of 2-Formylphenylboronic acid is 40138-16-7. The IUPAC name is (2-formylphenyl)boronic acid. In addition, the molecular formula is C7H7BO3. What's more, it is a kind of light yellow to light orange-pink crystalline and belongs to the classes of Aldehydes; BoronicAcids; Substituted Boronic Acids; Boronic Acids & Esters; Aldehyde. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.01; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 38.25 cm3; (8)Molar Volume: 120.5 cm3; (9)Polarizability: 15.16 ×10-24cm3; (10)Surface Tension: 49 dyne/cm; (11)Density: 1.24 g/cm3; (12)Flash Point: 169 °C; (13)Enthalpy of Vaporization: 63.41 kJ/mol; (14)Boiling Point: 355.7 °C at 760 mmHg; (15)Vapour Pressure: 1.12E-05 mmHg at 25°C.
Uses of 2-Formylphenylboronic acid: it can react with acetic acid-(2-bromo-anilide) to get 1-(6-hydroxy-6H-phenanthridin-5-yl)-ethanone. This reaction will need reagent aq. Na2CO3, catalyst tetrakis(triphenylphosphine)palladium(0) and solvent 1,2-dimethoxy-ethane. The yield is about 77% by heating.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1B(O)O
(2)InChI: InChI=1/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H
(3)InChIKey: DGUWACLYDSWXRZ-UHFFFAOYAX