Boronic acid,B-[4-(3-hydroxypropyl)phenyl]- supplier

Name
4-(3-HYDROXYPROPYL)BENZENEBORONIC ACID
EINECS
CAS No. 850568-48-8
Article Data3
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 70-74 °C
Formula C₉H₁₃BO₃
Boiling Point 379.9 °C at 760 mmHg
Molecular Weight 180.011
Flash Point 183.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-(3-hydroxypropyl)phenyl]- (9CI);[4-(3-Hydroxypropyl)phenyl]boronicacid;
PSA 60.69000
LogP -0.70870

Boronic acid,B-[4-(3-hydroxypropyl)phenyl]- Specification

The Boronic acid,B-[4-(3-hydroxypropyl)phenyl]-, with the CAS registry number 850568-48-8, is also known as Boronicacid, [4-(3-hydroxypropyl)phenyl]- (9CI). It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C₉H₁₃BO₃ and molecular weight is 180.01. What's more, its systematic name is called [4-(3-Hydroxypropyl)phenyl]boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-[4-(3-hydroxypropyl)phenyl]- are: (1) ACD/LogP: 1.25; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.25; (4) ACD/LogD (pH 7.4): 1.23; (5) ACD/BCF (pH 5.5): 5.24; (6) ACD/BCF (pH 7.4): 4.99; (7) ACD/KOC (pH 5.5): 113.95; (8) ACD/KOC (pH 7.4): 108.51; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 27.69 Å²; (13) Index of Refraction: 1.546; (14) Molar Refractivity: 48.71 cm³; (15) Molar Volume: 153.7 cm³; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.17 g/cm³; (18)Flash Point: 183.6 °C; (19) Enthalpy of Vaporization: 66.25 kJ/mol; (20) Boiling Point: 379.9 °C at 760 mmHg; (21) Vapour Pressure: 1.89E-06 mmHg at 25 °C; (22) Melting Point: 70-74 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(cc1)CCCO
(2) InChI: InChI=1/C9H13BO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11-13H,1-2,7H2
(3) InChIKey: KCRVWMBFIDPDIF-UHFFFAOYAZ

Product Name

4-(3-HYDROXYPROPYL)BENZENEBORONIC ACID

Boronic acid,B-[4-(3-hydroxypropyl)phenyl]- Specification

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