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Octanoyl Chloride

CAT: 0572-TRC-O239740-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-O239740-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111-64-8
Synonyms
1-Octanoic Acid Chloride; Caprylic Acid Chloride; Capryloyl Chloride; Caprylyl Chloride; Octanoic Acid Chloride; Octanoic Chloride; n-Octanoyl Chloride
Hazard Statement
Combustible liquid and vapour; UN number: UN2927; Packing Group: II
Smiles
CCCCCCCC(=O)Cl
Molecular Formula
C8H15ClO
Molecular Weight
162.66
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Octanoyl chloride

Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)

CAS Number111-64-8
PubChem CID8124
IUPAC Nameoctanoyl chloride
Molecular FormulaC8H15ClO
Molecular Weight162.66
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity91
SMILES
CCCCCCCC(=O)Cl
InChI
InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
InChIKey
REEZZSHJLXOIHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanoyl chloride
CAS: 111-64-8
CID: 8124
Formula: C8H15ClO
MW: 162.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.66
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass162.0811428
Monoisotopic Mass162.0811428
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity91.3
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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