Boronic acid,B-(4-methoxy-3-nitrophenyl)- supplier

Name
4-METHOXY-3-NITROPHENYLBORONIC ACID
EINECS
CAS No. 827614-67-5
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₇H₈BNO₅
Boiling Point 406.1 °C at 760 mmHg
Molecular Weight 196.955
Flash Point 199.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-methoxy-3-nitrophenyl)- (9CI);(4-Methoxy-3-nitrophenyl)boronic acid;Boronic acid, B-(4-methoxy-3-nitrophenyl)-;
PSA 95.51000
LogP -0.19360

Boronic acid,B-(4-methoxy-3-nitrophenyl)- Specification

The Boronic acid,B-(4-methoxy-3-nitrophenyl)-, with the CAS registry number 827614-67-5, has the systematic name and IUPAC of (4-methoxy-3-nitrophenyl)boronic acid. It belongs to the following product categories: Blocks; Boronic Acids; Nitro Compounds; Boronic Acid. And the molecular formula of the chemical is C₇H₈BNO₅.

The characteristics of Boronic acid,B-(4-methoxy-3-nitrophenyl)- are as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 3.98; (6)ACD/BCF (pH 7.4): 1.8; (7)ACD/KOC (pH 5.5): 93.15; (8)ACD/KOC (pH 7.4): 42.11; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 73.51 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 45.68 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 18.11×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 199.4 °C; (20)Enthalpy of Vaporization: 69.36 kJ/mol; (21)Boiling Point: 406.1 °C at 760 mmHg; (22)Vapour Pressure: 2.53E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1OC)B(O)O
(2)InChI: InChI=1/C7H8BNO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,10-11H,1H3
(3)InChIKey: HAQVJQNWHRUPBH-UHFFFAOYAE

Product Name

4-METHOXY-3-NITROPHENYLBORONIC ACID

Boronic acid,B-(4-methoxy-3-nitrophenyl)- Specification

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