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2,4-Dichlorophenylboronic acid

CAT: 0804-HY-32895-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-32895-01Size:10 g
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Description
2,4-Dichlorophenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
68716-47-2
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-4-dichlorophenylboronic-acid.html
Purity
99.99
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(B(O)O)C(Cl)=C1
Molecular Formula
C6H5BCl2O2
Molecular Weight
190.82
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

(2,4-Dichlorophenyl)boronic acid
CAS Number68716-47-2
PubChem CID2734659
IUPAC Name(2,4-dichlorophenyl)boronic acid
Molecular FormulaC6H5BCl2O2
Molecular Weight190.82
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
B(C1=C(C=C(C=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey
QNEGDGPAXKYZHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dichlorophenyl)boronic acid
CAS: 68716-47-2
CID: 2734659
Formula: C6H5BCl2O2
MW: 190.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.9759650
Monoisotopic Mass189.9759650
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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