Palmitoyl chloride - ≥96%(T) , CAS No.112-67-4

CAS: 112-67-4 Cat. No.: P106415 Molecular Weight: 274.87 Beilstein Registry Number: 972409 EC Number: 203-996-7

GRADE & PURITY ≥96%(T)

Synonyms

AKOS009031460 | FS-4452 | Palmitoyl chloride, purum, >=97.0% (GC) | Q27266453 | 1-hexadecanoyl chloride | HEXADECANOYL CHLORIDE [HSDB] | NSC 9854 | SCHEMBL154949 | hexadecanoic acid chloride | Hexadecanoylchloride | Hexadecanoyl-chloride- | Palmitoyl chlo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

A compound which has been used as a polymeric carrier for plasmid DNA delivery to 293T cells

Palmitoyl chloride can be used:

· To introduce carbon chain in glycosphingolipid galactosyl ceramide through stereoselective olefin cross-metathesis. 

· To prepare monoacyl and 1,3-symmetrical triacylglycerols via regioselective ring opening of an oxirane. 

It can also be used in the total synthesis of:

· Hericenone J and 5′ -deoxohericenone C (hericene A). 

· Seminolipid. 

· Mycobactin S and T equivalents having catechol-glycine group instead of phenol-oxazoline of the naturally occurring mycobactins.

Specifications

Synonyms

AKOS009031460 | FS-4452 | Palmitoyl chloride, purum, >=97.0% (GC) | Q27266453 | 1-hexadecanoyl chloride | HEXADECANOYL CHLORIDE [HSDB] | NSC 9854 | SCHEMBL154949 | hexadecanoic acid chloride | Hexadecanoylchloride | Hexadecanoyl-chloride- | Palmitoyl chlo

Specifications & Purity

≥96%(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(T)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)Cl
• IUPAC Name: hexadecanoyl chloride
• InChIKey: ARBOVOVUTSQWSS-UHFFFAOYSA-N
• INCHI: 1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)Cl
• WGK Germany: 1
• UN Number: 1760
• Packing Group: I
• Molecular Weight: 274.87
• Beilstein: 972409
• Reaxy-Rn: 972409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in ether.Decomposes in water and alcohol.
• Sensitivity: Moisture sensitive,heat sensitive
• Freezing Point(°C): 10 °C
• Refractive Index: 1.451-1.453
• Flash Point(°F): 320 °F
• Flash Point(°C): 160 °C
• Boil Point(°C): 200 °C/15 mmHg
• Melt Point(°C): 9-14°C
• Molecular Weight: 274.900 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 274.206 Da
• Monoisotopic Mass: 274.206 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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