4-Propylphenylboronic acid supplier

Name
4-Propylphenylboronic acid
EINECS 603-797-9
CAS No. 134150-01-9
Article Data8
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point 89-97 °C(lit.)
Formula C₉BH₁₃O₂
Boiling Point 299.1 °C at 760 mmHg
Molecular Weight 164.012
Flash Point 134.7 °C
Transport Information
Appearance white or off-white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-propylphenyl)- (9CI);(4-Propylphenyl)boronic acid;4-Propylbenzeneboronic acid;4-Propylphenyl boronic acid;
PSA 40.46000
LogP 0.31890

4-Propylphenylboronic acid Specification

The IUPAC name of this chemical is (4-propylphenyl)boronic acid. With the CAS registry number 134150-01-9, it is also named as Boronic acid, B-(4-propylphenyl)-. The product's categories are Blocks; Boronic Acids; Boronic Acid Series; Aryl; Boronic Acids and Derivatives. It is white or off-white powder which is used as intermediate of liquid crystal. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 136.42; (6)ACD/BCF (pH 7.4): 130.09; (7)ACD/KOC (pH 5.5): 1174.05; (8)ACD/KOC (pH 7.4): 1119.56; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 47.17 cm³; (14)Molar Volume: 156.1 cm³; (15)Polarizability: 18.7×10^-24 cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Enthalpy of Vaporization: 56.93 kJ/mol; (18)Vapour Pressure: 0.000542 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 164.10086; (21)MonoIsotopic Mass: 164.10086; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 12; (24)Complexity: 120.

People can use the following data to convert to the molecule structure.
1. SMILES:OB(O)c1ccc(cc1)CCC
2. InChI:InChI=1/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
3. InChIKey:WLCGYIWOKVWFLB-UHFFFAOYAI
4. Std. InChI:InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
5. Std. InChIKey:WLCGYIWOKVWFLB-UHFFFAOYSA-N

Product Name

4-Propylphenylboronic acid

4-Propylphenylboronic acid Specification

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