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CAS No.: | 874219-16-6 |
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Name: | 2-(N,N-DIMETHYLAMINOCARBONYL)BENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C9H12BNO3 |
Molecular Weight: | 193.01 |
Synonyms: | Boronicacid, [2-[(dimethylamino)carbonyl]phenyl]- (9CI); |
Density: | 1.2 g/cm3 |
Melting Point: | 108-110 °C |
Boiling Point: | 417.8 °C at 760 mmHg |
Flash Point: | 206.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 60.77000 |
LogP: | -0.93180 |
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The Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]- is an organic compound with the formula C9H12BNO3. The systematic name of this chemical is [2-(dimethylcarbamoyl)phenyl]boronic acid. With the CAS registry number 874219-16-6, the product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]- are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 60.77 Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 51.17 cm3; (7)Molar Volume: 159.8 cm3; (8)Polarizability: 20.28×10-24cm3; (9)Surface Tension: 48.3 dyne/cm; (10)Density: 1.2 g/cm3; (11)Flash Point: 206.5 °C; (12)Enthalpy of Vaporization: 70.76 kJ/mol; (13)Boiling Point: 417.8 °C at 760 mmHg; (14)Vapour Pressure: 1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccccc1C(=O)N(C)C)(O)O
(2)InChI: InChI=1/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
(3)InChIKey: NZIOVLXULSCCSG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
(5)Std. InChIKey: NZIOVLXULSCCSG-UHFFFAOYSA-N