1-Butenylboronic acid supplier

Name
1-Butenylboronic acid
EINECS
CAS No. 852458-12-9
Article Data4
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point 85-89 °C
Formula C₄H₉BO₂
Boiling Point 192.214 °C at 760 mmHg
Molecular Weight 99.9253
Flash Point 70.049 °C
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, 1-butenyl- (9CI);But-1-en-1-ylboronic acid;
PSA 40.46000
LogP -0.03540

1-Butenylboronic acid Specification

The 1-Butenylboronic acid, with the CAS registry number 852458-12-9, is also known as But-1-en-1-ylboronic acid. It belongs to the product category of Boron Derivatives. This chemical's molecular formula is C₄H₉BO₂ and molecular weight is 99.92. What's more, its systematic name is 1-Buten-1-ylboronic acid.

Physical properties of 1-Butenylboronic acid are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.99; (6)ACD/BCF (pH 7.4): 7.96; (7)ACD/KOC (pH 5.5): 154.10; (8)ACD/KOC (pH 7.4): 153.51; (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: 1.429; (14)Molar Refractivity: 27.137 cm³; (15)Molar Volume: 105.139 cm³; (16)Polarizability: 10.758×10^-24cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 70.049 °C; (20)Enthalpy of Vaporization: 49.855 kJ/mol; (21)Boiling Point: 192.214 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(C=CCC)(O)O
(2)Std. InChI: InChI=1S/C4H9BO2/c1-2-3-4-5(6)7/h3-4,6-7H,2H2,1H3
(3)Std. InChIKey: KKDBUAXGGKQJNY-UHFFFAOYSA-N

Product Name

1-Butenylboronic acid

1-Butenylboronic acid Specification

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