Boronic acid,B-[3-(4-morpholinylcarbonyl)phenyl]- supplier

Name
N-MORPHOLINYL 3-BORONOBENZAMIDE
EINECS
CAS No. 723281-55-8
Density 1.3 g/cm³
Solubility
Melting Point 124-130°C
Formula C₁₁H₁₄BNO₄
Boiling Point 496.6 °C at 760 mmHg
Molecular Weight 235.047
Flash Point 254.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms [3-[(Morpholin-4-yl)carbonyl]phenyl]boronic acid;Boronicacid, [3-(4-morpholinylcarbonyl)phenyl]- (9CI);[3-(morpholin-4-ylcarbonyl)phenyl]boronic acid;N-Morpholinyl 3-boronobenzamide;
PSA 70.00000
LogP -1.22330

Boronic acid,B-[3-(4-morpholinylcarbonyl)phenyl]- Specification

The Boronic acid,B-[3-(4-morpholinylcarbonyl)phenyl]-, with the CAS registry number 723281-55-8, has the systematic name of [3-(morpholin-4-ylcarbonyl)phenyl]boronic acid. It belongs to the product category of Blocks and BoronicAcids. And the molecular formula of the chemical is C₁₁H₁₄BNO₄.

The characteristics of Boronic acid,B-[3-(4-morpholinylcarbonyl)phenyl]- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.42; (5)ACD/KOC (pH 7.4): 6.8; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 48 Å²; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 60.13 cm³; (12)Molar Volume: 179.9 cm³; (13)Polarizability: 23.83×10^-24cm³; (14)Surface Tension: 56.1 dyne/cm; (15)Density: 1.3 g/cm³; (16)Flash Point: 254.1 °C; (17)Enthalpy of Vaporization: 80.5 kJ/mol; (18)Boiling Point: 496.6 °C at 760 mmHg; (19)Vapour Pressure: 1.11E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cccc(B(O)O)c1)N2CCOCC2
(2)InChI: InChI=1/C11H14BNO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
(3)InChIKey: DRZFURCXDFRZNR-UHFFFAOYAX

Product Name

N-MORPHOLINYL 3-BORONOBENZAMIDE

Boronic acid,B-[3-(4-morpholinylcarbonyl)phenyl]- Specification

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