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CAS 42599-16-6 chemical formula,CAS 42599-16-6 MSDS,CAS 42599-16-6 chemical properties

CAS Number 42599-16-6
chem name Boronic acid,B-(1E)-1-octenyl
formula C8H17BO2
structure
synonyms Boronic acid, 1-octenyl-, (E)-;Boronicacid, (1E)-1-octenyl- (9CI);(2E)-2-Octen-1-ylboronic acid;(E)-1-Octen-1-ylboronic acid;(E)-1-Octenylboronic acid;trans-1-Octenylboronic acid;
properties

CAS Number 42599-16-6 properties (MSDS)

Specification

The Boronic acid, B-(1E)-1-octenyl-, with the CAS registry number of 42599-16-6, is also known as (E)-1-Octenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Alkenyl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C8H17BO2 and molecular weight is 156.03. What's more, its systematic name is called [(E)-Oct-1-enyl]boronic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid, B-(1E)-1-octenyl- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 329.65; (6)ACD/BCF (pH 7.4): 328.47; (7)ACD/KOC (pH 5.5): 2208.1; (8)ACD/KOC (pH 7.4): 2200.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 45.66 cm3; (15)Molar Volume: 171.1 cm3; (16)Surface Tension: 32.2 dyne/cm; (17)Density: 0.911 g/cm3; (18)Flash Point: 113 °C; (19)Enthalpy of Vaporization: 58.19 kJ/mol; (20)Boiling Point: 263.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00147 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)/C=C/CCCCCC
(2) InChI: InChI=1/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+
(3) InChIKey: RBTAJLKAPFBZDQ-BQYQJAHWBX