(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid supplier

Name
(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid
EINECS
CAS No. 850568-58-0
Density 1.4 g/cm³
Solubility
Melting Point 192-200 °C
Formula C₁₄H₁₂BNO₆
Boiling Point 533.3 °C at 760 mmHg
Molecular Weight 301.06
Flash Point 276.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Benzyloxycarbonyl-2-nitro)phenylboronic acid;Benzyl 4-borono-3-nitrobenzoate;
PSA 112.58000
LogP 1.15480

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid Specification

The systematic name of (4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid is {4-[(benzyloxy)carbonyl]-2-nitrophenyl}boronic acid. With the CAS registry number 850568-58-0, it is also named as Benzyl 4-borono-3-nitrobenzoate. The product's categories are Blocks; Boronic Acids; Carboxes; Nitro Compounds. It should be stored in cold place. In addition, its molecular formula is C₁₄H₁₂BNO₆ and its molecular weight is 301.06.

The other characteristics of (4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid can be summarized as: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 90.58 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 75.14 cm³; (9)Molar Volume: 214.3 cm³; (10)Polarizability: 29.79×10^-24cm³; (11)Surface Tension: 64 dyne/cm; (12)Density: 1.4 g/cm³; (13)Flash Point: 276.3 °C; (14)Melting Point: 192-200 °C; (15)Enthalpy of Vaporization: 85.18 kJ/mol; (16)Boiling Point: 533.3 °C at 760 mmHg; (17)Vapour Pressure: 3.34E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c2c(B(O)O)ccc(C(=O)OCc1ccccc1)c2
(2)InChI: InChI=1/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-7-12(15(18)19)13(8-11)16(20)21/h1-8,18-19H,9H2
(3)InChIKey: WCPSHLUESXPJCV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-7-12(15(18)19)13(8-11)16(20)21/h1-8,18-19H,9H2
(5)Std. InChIKey: WCPSHLUESXPJCV-UHFFFAOYSA-N

Product Name

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid Specification

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