Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- supplier

Name
(3-CARBOXY-5-NITROPHENYL)BORONIC ACID, PINACOL ESTER
EINECS
CAS No. 377780-80-8
Density 1.29g/cm³
Solubility
Melting Point 246-250℃
Formula C₁₃H₁₆BNO₆
Boiling Point 451.3 °C at 760 mmHg
Molecular Weight 293.08
Flash Point 226.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Carboxy-5-Nitrophenylboronic Acid, Pinacol Ester;
PSA 101.58000
LogP 2.11540

Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

The Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with CAS registry number 377780-80-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid. And the chemical formula of this chemical is C₁₃H₁₆BNO₆.

Physical properties of Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 90.58 Å²; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 71.76 cm³; (7)Molar Volume: 227 cm³; (8)Polarizability: 28.45×10^-24cm³; (9)Surface Tension: 48.5 dyne/cm; (10)Density: 1.29 g/cm³; (11)Flash Point: 226.7 °C; (12)Enthalpy of Vaporization: 74.85 kJ/mol; (13)Boiling Point: 451.3 °C at 760 mmHg; (14)Vapour Pressure: 6.24E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(C(=O)O)cc(B1OC(C)(C)C(O1)(C)C)c2
(2)InChI: InChI=1/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)
(3)InChIKey: OYMDMSRXMZRHPB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)
(5)Std. InChIKey: OYMDMSRXMZRHPB-UHFFFAOYSA-N

Product Name

(3-CARBOXY-5-NITROPHENYL)BORONIC ACID, PINACOL ESTER

Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

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