4-tert-Butyl-1-cyclohexen-1-ylboronic acid supplier

Name
4-tert-Butyl-1-cyclohexen-1-ylboronic acid
EINECS
CAS No. 850567-91-8
Article Data2
CAS DataBase
Density 0.976 g/cm³
Solubility Slightly soluble in water.
Melting Point 166-170℃
Formula C₁₀H₁₉BO₂
Boiling Point 296.101 °C at 760 mmHg
Molecular Weight 182.071
Flash Point 132.878 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(tert-Butylcyclohexen-1-yl)boronic acid;4-tert-Butylcyclohexen-1-ylboronic acid;
PSA 40.46000
LogP 1.77100

4-tert-Butyl-1-cyclohexen-1-ylboronic acid Specification

The 4-tert-Butyl-1-cyclohexen-1-ylboronic acid, with the CAS registry number 850567-91-8, is also known as Boronic acid, B-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₀H₁₉BO₂ and molecular weight is 182.07. What's more, its systematic name is called [4-(2-Methyl-2-propanyl)-1-cyclohexen-1-yl]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 4-tert-Butyl-1-cyclohexen-1-ylboronic acid are: (1)ACD/LogP: 3.802; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.80; (4)ACD/LogD (pH 7.4): 3.80; (5)ACD/BCF (pH 5.5): 456.47; (6) ACD/BCF (pH 7.4): 452.31; (7)ACD/KOC (pH 5.5): 2787.40; (8)ACD/KOC (pH 7.4): 2761.98; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.474 ; (14)Molar Refractivity: 52.508 cm³; (15)Molar Volume: 186.628 cm³; (16)Polarizability: 20.816×10^-24cm³; (17)Surface Tension: 32.972 dyne/cm; (18)Density: 0.976 g/cm³; (19)Flash Point: 132.878 °C; (20)Enthalpy of Vaporization: 62.165 kJ/mol; (21)Boiling Point: 296.101 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(C1=CCC(CC1)C(C)(C)C)(O)O
(2) InChI: InChI=1S/C10H19BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h6,8,12-13H,4-5,7H2,1-3H3
(3) InChIKey: QPJWLDFYBBQYSG-UHFFFAOYSA-N

Product Name

4-tert-Butyl-1-cyclohexen-1-ylboronic acid

4-tert-Butyl-1-cyclohexen-1-ylboronic acid Specification

Related Products

Hot Products