Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- supplier

Name
3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 762262-11-3
Density 1.27 g/cm³
Solubility
Melting Point 226-236°C
Formula C₁₀H₁₁BN₂O₃
Boiling Point
Molecular Weight 218.02
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- (9CI);[3-(2-Cyanoethylcarbamoyl)phenyl]boronic acid;{3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid;
PSA 93.35000
LogP -0.59922

Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-, with the CAS registry number 762262-11-3, has the systematic nane of {3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C₁₀H₁₁BN₂O₃.

The characteristics of Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- are as followings: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 62.56 Å²; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 55.51 cm³; (9)Molar Volume: 171.1 cm³; (10)Polarizability: 22×10^-24cm³; (11)Surface Tension: 58.3 dyne/cm; (12)Density: 1.27 g/cm³.

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: N#CCCNC(=O)c1cc(B(O)O)ccc1
(2)InChI: InChI=1/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)
(3)InChIKey: RIXOLHWXBQWQFL-UHFFFAOYAV

Product Name

3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- Specification

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