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Boronic acid,B-(1E)-1-hexenyl-

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Name

Boronic acid,B-(1E)-1-hexenyl-

EINECS N/A
CAS No. 42599-18-8 Density 0.926 g/cm3
PSA 40.46000 LogP 0.74480
Solubility N/A Melting Point 62-63 °C
Formula C6H13BO2 Boiling Point 227.8 °C at 760 mmHg
Molecular Weight 127.979 Flash Point 91.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 42599-18-8 (E-HEXEN-1-YLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (1E)-1-hexenyl- (9CI);Boronic acid, 1-hexenyl-, (E)-;(E)-1-Hexen-1-ylboronic acid;(E)-1-Hexenylboronic acid;[(1E)-1-Hexenyl]boronicacid;trans-1-Hexen-1-ylboronic acid;trans-1-Hexenylboronic acid;

Article Data 17

Boronic acid,B-(1E)-1-hexenyl- Specification

The Boronic acid, B-(1E)-1-hexenyl-, with the CAS registry number of 42599-18-8, is also known as trans-1-Hexenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C6H13BO2 and molecular weight is 127.98. What's more, its IUPAC name is Hex-5-en-2-ylboronic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, this chemical must be kept in cold storage.

Physical properties about Boronic acid, B-(1E)-1-hexenyl- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.33; (6)ACD/BCF (pH 7.4): 51.14; (7)ACD/KOC (pH 5.5): 583.32; (8)ACD/KOC (pH 7.4): 581.1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 36.4 cm3; (15)Molar Volume: 138.1 cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 0.926 g/cm3; (18)Flash Point: 91.6 °C; (19)Enthalpy of Vaporization: 53.99 kJ/mol; (20)Boiling Point: 227.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0148 mmHg at 25 °C.

Uses of Boronic acid, B-(1E)-1-hexenyl-: it is used to produce other chemicals. For example, it is used to produce 1-(1-Hexenyl)-2-thiomethylbenzene by heating. This reaction needs reagent 2 M aq. NaOH, catalyst Pd(PPh)3. Meanwhile, it needs solvents Tetrahydrofuran and H2O. The reaction time is 4 hours. The yield is about 88 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)/C=C/CCCC
(2) InChI: InChI=1/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3/b6-5+
(3) InChIKey: GWFKSQSXNUNYAC-AATRIKPKBR

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