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Decanoyl chloride

CAT: 0804-HY-W127342-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W127342-01Size:10 g
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Description
Decanoyl chloride is an organic compound belonging to the class of acid chlorides. It is a colorless liquid with a pungent odor and is commonly used as a reagent in various organic chemical reactions, especially in the synthesis of esters, amides and fatty acids. Decanoyl chloride has numerous applications in synthetic organic chemistry, especially in the production of pharmaceuticals, agrochemicals and specialty chemicals. In addition, it can be used as a precursor for the synthesis of surfactants and detergents.
CAS Number
112-13-0
Product Name Alternative
Decanoic acid chloride
UNSPSC
12352211
Hazard Statement
H314, H318
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/decanoyl-chloride.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCC(=O)Cl
Molecular Formula
C10H19ClO
Molecular Weight
190.71
Precautions
H314, H318
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Decanoyl chloride
CAS Number112-13-0
PubChem CID66982
IUPAC Namedecanoyl chloride
Molecular FormulaC10H19ClO
Molecular Weight190.71
XLogP5.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity112
SMILES
CCCCCCCCCC(=O)Cl
InChI
InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
InChIKey
IPIVAXLHTVNRBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanoyl chloride
CAS: 112-13-0
CID: 66982
Formula: C10H19ClO
MW: 190.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.71
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass190.1124429
Monoisotopic Mass190.1124429
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity112
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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