Boronic acid,B-[4-(2-methylpropyl)-3-nitrophenyl]- supplier

Name
(3-NITRO-4-ISOBUTYLPHENYL)BORONIC ACID
EINECS
CAS No. 850568-57-9
Density 1.2 g/cm³
Solubility
Melting Point 168-174 °C
Formula C₁₀H₁₄BNO₄
Boiling Point 369.9 °C at 760 mmHg
Molecular Weight 223.03
Flash Point 177.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-(2-methylpropyl)-3-nitrophenyl]- (9CI);4-Isobutyl-3-nitrobenzeneboronic acid;(3-Nitro-4-isobutylphenyl)boronic acid;
PSA 86.28000
LogP 0.99630

Boronic acid,B-[4-(2-methylpropyl)-3-nitrophenyl]- Specification

The systematic name of Boronic acid,B-[4-(2-methylpropyl)-3-nitrophenyl]- is [4-(2-methylpropyl)-3-nitrophenyl]boronic acid. With the CAS registry number 850568-57-9, it is also named as (3-Nitro-4-isobutylphenyl)boronic acid. The product's categories are Blocks; Boronic Acids. It should be stored in cold place. In addition, its molecular formula is C₁₀H₁₄BNO₄ and its molecular weight is 223.03.

The other characteristics of Boronic acid,B-[4-(2-methylpropyl)-3-nitrophenyl]- can be summarized as: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 64.28 Å²; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 57.81 cm³; (9)Molar Volume: 184.9 cm³; (10)Polarizability: 22.91×10^-24cm³; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.2 g/cm³; (13)Flash Point: 177.5 °C; (14)Melting Point: 168-174 °C; (15)Enthalpy of Vaporization: 65.06 kJ/mol; (16)Boiling Point: 369.9 °C at 760 mmHg; (17)Vapour Pressure: 3.99E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c1cc(ccc1CC(C)C)B(O)O
(2)InChI: InChI=1/C10H14BNO4/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12(15)16/h3-4,6-7,13-14H,5H2,1-2H3
(3)InChIKey: BXGWPVQZLGUZBZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H14BNO4/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12(15)16/h3-4,6-7,13-14H,5H2,1-2H3
(5)Std. InChIKey: BXGWPVQZLGUZBZ-UHFFFAOYSA-N

Product Name

(3-NITRO-4-ISOBUTYLPHENYL)BORONIC ACID

Boronic acid,B-[4-(2-methylpropyl)-3-nitrophenyl]- Specification

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