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134150-01-9

Basic Information
CAS No.: 134150-01-9
Name: Boronicacid, B-(4-propylphenyl)-
Molecular Structure:
Molecular Structure of 134150-01-9 (Boronicacid, B-(4-propylphenyl)-)
Formula: C9BH13O2
Molecular Weight: 164.01
Synonyms: Boronicacid, (4-propylphenyl)- (9CI);(4-Propylphenyl)boronic acid;4-Propylbenzeneboronic acid;4-Propylphenyl boronic acid;
EINECS: 603-797-9
Density: 1.05 g/cm3
Melting Point: 89-97 °C(lit.)
Boiling Point: 299.1 °C at 760 mmHg
Flash Point: 134.7 °C
Solubility:
Appearance: white or off-white powder
Hazard Symbols: IrritantXi
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 40.46000
LogP: 0.31890
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    Product Name: 4-Propylphenylboronic acid CAS: 134150-01-9 MF: C9H13BO2 MW: 164.01 EINECS: 603-797-9 Mol File: 134150-01-9.mol 4-Propylphenylboronic acid Structure 4-Propylphenylboronic acid Chemical Properties Melting point 89

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  • 4-Propylphenylboronic acidCAS NO.: 134150-01-9

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    134150-01-9

    4-Propylphenylboronic acidCAS NO.: 134150-01-9

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  • 134150-01-9

  • Casno:

    134150-01-9

    134150-01-9

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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