(4-Heptylphenyl)boronic acid supplier

Name
4-N-HEPTYLBENZENE BORONIC ACID
EINECS
CAS No. 256383-44-5
Article Data3
CAS DataBase
Density 0.99 cm³
Solubility
Melting Point 50-70 °C(Solv: pentane (109-66-0))
Formula C₁₃H₂₁BO₂
Boiling Point 357 °C at 760 mmHg
Molecular Weight 220.12
Flash Point 169.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-heptylphenyl)- (9CI);4-Heptylphenylboronic acid;
PSA 40.46000
LogP 1.87930

(4-Heptylphenyl)boronic acid Specification

This chemical is called (4-Heptylphenyl)boronic acid, and its CAS registry number is 256383-44-5. With the molecular formula of C₁₃H₂₁BO₂, its molecular weight is 220.12.

Other characteristics of the (4-Heptylphenyl)boronic acid can be summarised as followings: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.22; (5)ACD/BCF (pH 5.5): 5626.05; (6)ACD/BCF (pH 7.4): 5374.94; (7)ACD/KOC (pH 5.5): 16823.41; (8)ACD/KOC (pH 7.4): 16072.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 65.69 cm³; (15)Molar Volume: 221.7 cm³; (16)Polarizability: 26.04×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 169.7 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 357 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccc(cc1)CCCCCCC
2.InChI: InChI=1/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
3.InChIKey: RFBUNLZEBLXJKX-UHFFFAOYAG

Product Name

4-N-HEPTYLBENZENE BORONIC ACID

(4-Heptylphenyl)boronic acid Specification

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