Cyclopropaneboronic acid

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Product Information

Molecular Formula:
C3H7BO2
Molecular Weight:
85.9
Description
Cyclopropylboronic Acid is an organoboronic acid commonly used in highly efficient Suzuki coupling reactions.
Synonyms
B-Cyclopropylboronic Acid; ACMC-1AMNO; Cyclopropyl Boronic Acid; Boronic Acid, Cyclopropyl- (9Ci); Cyclopropylboronic acid; cyclopropylboranediol; DTXSID00375402; QCR-242; ACN-S003927; 37410-EP2301922A1
IUPAC Name
cyclopropylboronic acid
Canonical SMILES
B(C1CC1)(O)O
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChI Key
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Boiling Point
205.1±23.0 °C (Predicted)
Melting Point
92-94 °C
Flash Point
Not applicable
Purity
> 98 % (GC)
Density
1.110±0.10 g/cm3 (Predicted)
Solubility
Soluble in DMSO
Appearance
White powder
Storage
-20 °C under inert atmosphere
LogP
-0.37680

Safety Information

Hazards
H360FD
Precautionary Statement
P210, P220, P234, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P411, P420, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
86.0539096 g/mol
Monoisotopic Mass
86.0539096 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
50.8
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Calculate
The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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