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CAS No.: | 874219-44-0 |
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Name: | 3-(DIMETHYLCARBAMOYL)-5-NITROBENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C9H11BN2O5 |
Molecular Weight: | 238.01 |
Synonyms: | Boronicacid, [3-[(dimethylamino)carbonyl]-5-nitrophenyl]- (9CI); |
Density: | 1.38 g/cm3 |
Melting Point: | 160-162 °C |
Boiling Point: | 500.3 °C at 760 mmHg |
Flash Point: | 256.4 °C |
Hazard Symbols: | Xi |
PSA: | 106.59000 |
LogP: | -0.50040 |
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The Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]- is an organic compound with the formula C9H11BN2O5. The systematic name of this chemical is [3-(dimethylcarbamoyl)-5-nitro-phenyl]boronic acid. With the CAS registry number 874219-44-0, the product's categories are Blocks; BoronicAcids; Carboxes; NitroCompounds.
Physical properties about Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]- are: (1)#H bond acceptors: 7; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 106.59 Å2; (5)Index of Refraction: 1.581; (6)Molar Refractivity: 57.2 cm3; (7)Molar Volume: 171.5 cm3; (8)Polarizability: 22.67×10-24cm3; (9)Surface Tension: 60.6 dyne/cm; (10)Density: 1.38 g/cm3; (11)Flash Point: 256.4 °C; (12)Enthalpy of Vaporization: 80.97 kJ/mol; (13)Boiling Point: 500.3 °C at 760 mmHg; (14)Vapour Pressure: 7.88E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)(O)O
(2)InChI: InChI=1/C9H11BN2O5/c1-11(2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
(3)InChIKey: CMEDBCAYQJUDQF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H11BN2O5/c1-11(2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
(5)Std. InChIKey: CMEDBCAYQJUDQF-UHFFFAOYSA-N