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CAS No.: | 850567-92-9 |
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Name: | 4-METHYL-1-CYCLOHEXEN-1-YLBORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H13BO2 |
Molecular Weight: | 139.99 |
Synonyms: | Boronicacid, (4-methyl-1-cyclohexen-1-yl)- (9CI); |
Density: | 1.02 g/cm3 |
Melting Point: | 118-124 °C |
Boiling Point: | 264.8 °C at 760 mmHg |
Flash Point: | 113.9 °C |
Hazard Symbols: | |
PSA: | 40.46000 |
LogP: | 0.74480 |
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The Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)-, with the CAS registry number 850567-92-9, is also known as 4-Methyl-1-cyclohexen-1-ylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C7H13BO2 and molecular weight is 139.99. What's more, its systematic name is called (4-Methylcyclohexen-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. In addition, you should keep it cold.
Physical properties about Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- are: (1) ACD/LogP: 2.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.57; (4) ACD/LogD (pH 7.4): 2.57; (5) #H bond acceptors: 2; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 3; (8) Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.476; (10) Molar Refractivity: 38.6 cm3; (11) Molar Volume: 136.7 cm3; (12) Surface Tension: 34.1 dyne/cm; (13) Density: 1.02 g/cm3; (14) Flash Point: 113.9 °C; (15) Enthalpy of Vaporization: 58.38 kJ/mol; (16) Boiling Point: 264.8 °C at 760 mmHg; (17) Vapour Pressure: 0.00132 mmHg at 25 °C; (18) Melting Point: 118-124 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(C1=CCC(CC1)C)(O)O
(2) InChI: InChI=1/C7H13BO2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,9-10H,2-3,5H2,1H3
(3) InChIKey: SJZMIZIVYIOMIW-UHFFFAOYAV