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Boronic acid,B-(1E)-1-penten-1-yl-

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Name

Boronic acid,B-(1E)-1-penten-1-yl-

EINECS N/A
CAS No. 59239-44-0 Density 0.936 g/cm3
PSA 40.46000 LogP 0.35470
Solubility N/A Melting Point 100-105 °C (lit.)
Formula C5H11BO2 Boiling Point 209.9 °C at 760 mmHg
Molecular Weight 113.952 Flash Point 80.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 59239-44-0 (1-PENTENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, (1E)-1-pentenyl- (9CI);Boronic acid, 1-pentenyl-, (E)-;(E)-1-Pentenylboronic acid;

Article Data 7

Boronic acid,B-(1E)-1-penten-1-yl- Specification

The Boronic acid, B-(1E)-1-penten-1-yl-, with the CAS registry number of 59239-44-0, is also known as Boronicacid, (1E)-1-pentenyl- (9CI). This chemical's molecular formula is C5H11BO2 and molecular weight is 113.95. What's more, its systematic name is called (1E)-Pent-1-en-1-ylboronic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with water.

Physical properties about Boronic acid, B-(1E)-1-penten-1-yl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.26; (6)ACD/BCF (pH 7.4): 20.18; (7)ACD/KOC (pH 5.5): 299.82; (8)ACD/KOC (pH 7.4): 298.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 31.76 cm3; (15)Molar Volume: 121.6 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.936 g/cm3; (18)Flash Point: 80.7 °C; (19)Enthalpy of Vaporization: 51.9 kJ/mol; (20)Boiling Point: 209.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0452 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)/C=C/CCC
(2) InChI: InChI=1/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+
(3) InChIKey: SYKWJOZHNDPWIM-SNAWJCMRBB

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