3-(Cyclopropylaminocarbonyl)phenylboronic acid supplier

Name
3-(Cyclopropylaminocarbonyl)phenylboronic acid
EINECS
CAS No. 850567-23-6
Density 1.28 g/cm³
Solubility
Melting Point 220-226 °C
Formula C₁₀H₁₂BNO₃
Boiling Point
Molecular Weight 205.021
Flash Point
Transport Information
Appearance White to light yellow crystal powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[(cyclopropylamino)carbonyl]phenyl]- (9CI);3-(Cyclopropylcarbamoyl)phenylboronic acid;3-[(N-Cyclopropyl)aminocarbonyl]phenylboronic acid;
PSA 69.56000
LogP -0.35050

3-(Cyclopropylaminocarbonyl)phenylboronic acid Specification

The IUPAC name of 3-(Cyclopropylaminocarbonyl)phenylboronic acid is [4-(cyclopropylcarbamoyl)phenyl]boronic acid. With the CAS registry number 850567-23-6, it is also named as Boronic acid,B-[3-[(cyclopropylamino)carbonyl]phenyl]-. The product's categories are Blocks; Boronic Acids. It is white to light yellow crystal powder, which should be stored in cold place. In addition, its molecular formula is C₁₀H₁₂BNO₃and its molecular weight is 205.02.

The other characteristics of 3-(Cyclopropylaminocarbonyl)phenylboronic acid can be summarized as: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 38.77 Å²; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 53.5 cm³; (9)Molar Volume: 159.2 cm³; (10)Polarizability: 21.21×10^-24cm³; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.28 g/cm³; (13)Melting Point: 220-226 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1cc(B(O)O)ccc1)NC2CC2
(2)InChI: InChI=1/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
(3)InChIKey: ACYLEYDBPWXTIO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
(5)Std. InChIKey: ACYLEYDBPWXTIO-UHFFFAOYSA-N

Product Name

3-(Cyclopropylaminocarbonyl)phenylboronic acid

3-(Cyclopropylaminocarbonyl)phenylboronic acid Specification

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