4-(Propionyl)phenylboronic acid supplier

Name
4-(PROPIONYL)BENZENEBORONIC ACID
EINECS
CAS No. 186498-36-2
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₉H₁₁BO₃
Boiling Point 362.2 °C at 760 mmHg
Molecular Weight 177.99
Flash Point 172.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-(1-oxopropyl)phenyl]- (9CI);4-Propanoylphenylboronic acid;
PSA 57.53000
LogP -0.04090

4-(Propionyl)phenylboronic acid Specification

This chemical is called Boronic acid, B-[4-(1-oxopropyl)phenyl]-, and its systematic name is (4-propanoylphenyl)boronic acid. With the molecular formula of C₉H₁₁BO₃, its molecular weight is 177.99. The CAS registry number of this chemical is 186498-36-2.

Other characteristics of the Boronic acid, B-[4-(1-oxopropyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 9.13; (6)ACD/BCF (pH 7.4): 8.02; (7)ACD/KOC (pH 5.5): 169.37; (8)ACD/KOC (pH 7.4): 148.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 47.28 cm³; (15)Molar Volume: 153.2 cm³; (16)Polarizability: 18.74×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 172.8 °C; (20)Enthalpy of Vaporization: 64.16 kJ/mol; (21)Boiling Point: 362.2 °C at 760 mmHg; (22)Vapour Pressure: 7.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(B(O)O)cc1)CC
2.InChI: InChI=1/C9H11BO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
3.InChIKey: SUXBGJJJOLDLKL-UHFFFAOYAG

Product Name

4-(PROPIONYL)BENZENEBORONIC ACID

4-(Propionyl)phenylboronic acid Specification

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