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4-Tolylboronic acid

CAT: 0931-TYD-00754-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00754-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5720-05-8
Bioactivity
4-Tolylboronic acid is an organoboron compound with significant chemical application value. It serves as a crucial intermediate in organic synthesis for the production of pharmaceuticals, pesticides, cosmetics, and other organic compounds, as well as in the study of coordination chemistry and materials science. Due to its high chemical reactivity, 4-Tolylboronic acid has become a widely used reagent in organic synthesis.
Smiles
CC1=CC=C(B(O)O)C=C1
Molecular Formula
C7H9BO2
Molecular Weight
135.956
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tolylboronic acid

structure in first source

CAS Number5720-05-8
PubChem CID79799
IUPAC Name(4-methylphenyl)boronic acid
Molecular FormulaC7H9BO2
Molecular Weight135.96
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
B(C1=CC=C(C=C1)C)(O)O
InChI
InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
InChIKey
BIWQNIMLAISTBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolylboronic acid
CAS: 5720-05-8
CID: 79799
Formula: C7H9BO2
MW: 135.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.0695597
Monoisotopic Mass136.0695597
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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