4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid supplier

Name
4-(N'-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95
EINECS
CAS No. 913835-61-7
Density 1.33 g/cm³
Solubility
Melting Point 290-292 °C
Formula C₇H₉BN₂O₃
Boiling Point 455.4 °C at 760 mmHg
Molecular Weight 179.97
Flash Point 229.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(N-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95;4-(N-Hydroxycarbamimidoyl)benzeneboronic acid 95%;4-AMidoxiMobenzeneboronic acid, 95%
PSA 99.07000
LogP -0.83880

4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid Specification

This chemical is called 4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid, and its CAS registry number is 913835-61-7. With the molecular formula of C₇H₉BN₂O₃, its molecular weight is 179.97. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the 4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.48 ; (5)#H bond acceptors: 5; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 99.07 Å²; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 44.61 cm³; (11)Molar Volume: 135 cm³; (12)Polarizability: 17.68×10^-24cm³; (13)Surface Tension: 54 dyne/cm; (14)Density: 1.33 g/cm³; (15)Flash Point: 229.2 °C; (16)Enthalpy of Vaporization: 75.36 kJ/mol; (17)Boiling Point: 455.4 °C at 760 mmHg; (18)Vapour Pressure: 4.37E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: B(c1ccc(cc1)C(=NO)N)(O)O
2.InChI: InChI=1/C7H9BN2O3/c9-7(10-13)5-1-3-6(4-2-5)8(11)12/h1-4,11-13H,(H2,9,10)
3.InChIKey: LTKQMNXFUOIBQG-UHFFFAOYAX

Product Name

4-(N'-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95

4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid Specification

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