Boronic acid,[4-(heptyloxy)phenyl]- (9CI) supplier

Name
4-(N-HEPTYLOXY)BENZENEBORONIC ACID
EINECS
CAS No. 136370-19-9
Article Data5
CAS DataBase
Density 1.03 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₁BO₃
Boiling Point 381.9 °C at 760 mmHg
Molecular Weight 236.119
Flash Point 184.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(n-Heptyloxy)phenyl]boronicacid;
PSA 49.69000
LogP 1.71560

Boronic acid,[4-(heptyloxy)phenyl]- (9CI) Specification

The Boronic acid,[4-(heptyloxy)phenyl]- (9CI) is an organic compound with the formula C₁₃H₂₁BO₃. The IUPAC name of this chemical is (4-heptoxyphenyl)boronic acid. With the CAS registry number 136370-19-9, it is also named as 4-Heptyloxyphenylboronicacid. The product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,[4-(heptyloxy)phenyl]- (9CI) are: (1)ACD/LogP: 4.69; (2)ACD/LogD (pH 5.5): 4.69; (3)ACD/LogD (pH 7.4): 4.67; (4)ACD/BCF (pH 5.5): 2168.82; (5)ACD/BCF (pH 7.4): 2071.61; (6)ACD/KOC (pH 5.5): 8503.38; (7)ACD/KOC (pH 7.4): 8122.24; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 27.69 Å²; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 67.43 cm³; (14)Molar Volume: 227.9 cm³; (15)Polarizability: 26.73×10^-24cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.03 g/cm³; (18)Flash Point: 184.8 °C; (19)Enthalpy of Vaporization: 66.48 kJ/mol; (20)Boiling Point: 381.9 °C at 760 mmHg; (21)Vapour Pressure: 1.63E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)CCCCCCC
(2)InChI: InChI=1/C13H21BO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10,15-16H,2-6,11H2,1H3
(3)InChIKey: UHRONCCLURKEKO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H21BO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10,15-16H,2-6,11H2,1H3
(5)Std. InChIKey: UHRONCCLURKEKO-UHFFFAOYSA-N

Product Name

4-(N-HEPTYLOXY)BENZENEBORONIC ACID

Boronic acid,[4-(heptyloxy)phenyl]- (9CI) Specification

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