Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- supplier

Name
4-METHYL-1-CYCLOHEXEN-1-YLBORONIC ACID
EINECS
CAS No. 850567-92-9
Article Data2
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point 118-124 °C
Formula C₇H₁₃BO₂
Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 139.99
Flash Point 113.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (4-methyl-1-cyclohexen-1-yl)- (9CI);
PSA 40.46000
LogP 0.74480

Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- Specification

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

Product Name

4-METHYL-1-CYCLOHEXEN-1-YLBORONIC ACID

Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- Specification

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