Boronic acid,B-[3-[[bis(1-methylethyl)amino]carbonyl]phenyl]- supplier

Name
3-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 850567-40-7
Density 1.1 g/cm³
Solubility
Melting Point 170-174 °C
Formula C₁₃H₂₀BNO₃
Boiling Point 441.2 °C at 760 mmHg
Molecular Weight 249.11
Flash Point 220.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[bis(1-methylethyl)amino]carbonyl]phenyl]- (9CI);[3-(Diisopropylcarbamoyl)phenyl]boronic acid;3-(N,N-Diisopropylaminocarbonyl)benzeneboronic acid;
PSA 60.77000
LogP 0.62540

Boronic acid,B-[3-[[bis(1-methylethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[bis(1-methylethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850567-40-7, is also known as 3-(N,N-Diisopropylaminocarbonyl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₃H₂₀BNO₃ and molecular weight is 249.11. What's more, its systematic name is [3-(diisopropylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-[[bis(1-methylethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 60.77 Å²; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 69.64 cm³; (11)Molar Volume: 226.4 cm³; (12)Polarizability: 27.61×10^-24cm³; (13)Surface Tension: 42.4 dyne/cm; (14)Density: 1.1 g/cm³; (15)Flash Point: 220.6 °C; (16)Enthalpy of Vaporization: 73.61 kJ/mol; (17)Boiling Point: 441.2 °C at 760 mmHg; (18)Vapour Pressure: 1.46E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)N(C(C)C)C(C)C)(O)O
(2)InChI: InChI=1S/C13H20BNO3/c1-9(2)15(10(3)4)13(16)11-6-5-7-12(8-11)14(17)18/h5-10,17-18H,1-4H3
(3)InChIKey: WNUHFLVEXCGDIK-UHFFFAOYSA-N

Product Name

3-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID

Boronic acid,B-[3-[[bis(1-methylethyl)amino]carbonyl]phenyl]- Specification

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