Palmitoyl Chloride

Palmitoyl Chloride
Compound Structure:
Synonyms: Palmitoyl chloride; HEXADECANOYL CHLORIDE ;112-67-4 ;Palmitic acid chloride; Hexadecanoyl-chloride-
Compound ID: NMPC-1375
PubChem ID:

8206
Molecular Formula: C16H31ClO
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Cl
InChIKey: ARBOVOVUTSQWSS-UHFFFAOYSA-N
About the compound:

Hexadecanoyl chloride appears as a clear colorless to light yellow liquid with a pungent odor. Freezing point 11-12 °C. Irritates skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.

GHS Hazard Statements

• H290 (70.11%): May be corrosive to metals [Warning Corrosive to Metals]

• H314 (28.74%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H315 (71.26%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (71.26%): May cause an allergic skin reaction [Warning Sensitization, Skin]

First Aid

In case of emergency:

• Call 911 or emergency medical services.

• Inform medical personnel about the material involved and ensure they take necessary precautions.

• Move the victim to fresh air if safe to do so.

• Provide artificial respiration if the victim is not breathing, but avoid mouth-to-mouth if the substance was ingested or inhaled. Wash face and mouth before artificial respiration and use a pocket mask with a one-way valve.

• Administer oxygen if breathing is difficult.

• Remove and isolate contaminated clothing and shoes.

• Immediately flush skin or eyes with running water for at least 20 minutes in case of contact with the substance.

• For minor skin contact, prevent spreading the substance to unaffected areas.

• Keep the victim calm and warm, as effects of exposure may be delayed (ERG, 2020)
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

274.9 g/mol

XLogP3

7.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

14

Exact Mass

274.2063433 g/mol

Monoisotopic Mass

274.2063433 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

180

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Hexadecanoyl chloride appears as a clear colorless to light yellow liquid with a pungent odor. Freezing point 11-12 °C. Irritates skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.

Boiling Point

199 °C @ 20 MM HG

Melting Point

11-12 °C

Solubility 

VERY SOL IN ETHER

Source: PubChem                        
Source Species: Prosopis africana
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