4-(Cyclopropylaminocarbonyl)phenylboronic acid supplier

Name
4-(Cyclopropylaminocarbonyl)phenylboronic acid
EINECS
CAS No. 515140-26-8
Article Data1
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 202-206°C
Formula C₁₀H₁₂BNO₃
Boiling Point
Molecular Weight 219.048
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[[(cyclopropylmethyl)amino]carbonyl]phenyl]- (9CI);[4-(cyclopropylcarbamoyl)phenyl]boronic acid;4-(Cyclopropylaminocarbonyl)benzeneboronic acid;4-Cyclopropylaminocarbonylphenylboronic acid;
PSA 69.56000
LogP -0.35050

4-(Cyclopropylaminocarbonyl)phenylboronic acid Specification

The 4-(Cyclopropylaminocarbonyl)phenylboronic acid, with the CAS registry number 515140-26-8, has the systematic name and IUPAC name of [4-(cyclopropylcarbamoyl)phenyl]boronic acid. It belongs to the product category of Boronic Acids. And the molecular formula of the chemical is C₁₀H₁₂BNO₃.

The characteristics of 4-(Cyclopropylaminocarbonyl)phenylboronic acid are as followings: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 50.27; (8)ACD/KOC (pH 7.4): 43.5; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 53.5 cm³; (15)Molar Volume: 159.2 cm³; (16)Polarizability: 21.21×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.28 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: O=C(c1ccc(B(O)O)cc1)NC2CC2
(2)InChI: InChI=1/C10H12BNO3/c13-10(12-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9,14-15H,5-6H2,(H,12,13)
(3)InChIKey: WCRPDYXXIVYAAJ-UHFFFAOYAO

Product Name

4-(Cyclopropylaminocarbonyl)phenylboronic acid

4-(Cyclopropylaminocarbonyl)phenylboronic acid Specification

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