4-Pentyloxyphenylboronic acid supplier

Name
(4-PENTYLOXYPHENYL)BORONIC ACID
EINECS
CAS No. 146449-90-3
Article Data6
CAS DataBase
Density 1.066 g/cm³
Solubility
Melting Point 98-100°C
Formula C₁₁H₁₇BO₃
Boiling Point 355.349 °C at 760 mmHg
Molecular Weight 208.065
Flash Point 168.71 °C
Transport Information
Appearance off-white solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(pentyloxy)phenyl]boronic acid;4-Pentyloxyphenylboronic acid;boronic acid, B-[4-(pentyloxy)phenyl]-;
PSA 49.69000
LogP 0.93540

4-Pentyloxyphenylboronic acid Specification

The 4-Pentyloxyphenylboronic acid, with the CAS registry number 146449-90-3, has the systematic name of [4-(pentyloxy)phenyl]boronic acid. It is also called UNII-H1VG379J2X. It belongs to the product categories of Blocks and BoronicAcids. And the molecular formula of the chemical is C₁₁H₁₇BO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 337.73; (6)ACD/BCF (pH 7.4): 322.23; (7)ACD/KOC (pH 5.5): 2246.35; (8)ACD/KOC (pH 7.4): 2143.29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 58.17 cm³; (15)Molar Volume: 195.2 cm³; (16)Polarizability: 23.06×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 168.7 °C; (20)Enthalpy of Vaporization: 63.36 kJ/mol; (21)Boiling Point: 355.3 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)CCCCC
(2)InChI: InChI=1/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3
(3)InChIKey: WHFKSJLAGACWMF-UHFFFAOYAQ

Product Name

(4-PENTYLOXYPHENYL)BORONIC ACID

4-Pentyloxyphenylboronic acid Specification

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