1-Chlorohexadecane

Basic Information

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CAS Number

4860-03-1

Molecular Formula

C16H33Cl

Molecular Weight

260.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

8-14 °C

Boiling Point

149 °C/1 mmHg

Water Solubility

0.02 g/L (20 ºC, Dec.)

Solubility

<0.02g/l

Refractive Index

n20/D 1.449(lit.)

Vapor Pressure

129 mmHg ( 21 °C)

SMILES

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CCCCCCCCCCCCCCCCCl

InChI

InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

CLWAXFZCVYJLLM-UHFFFAOYSA-N

LogP

6.706500000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

123

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC 57106
SCHEMBL437217
NCIOpen2_002284
Palmityl chloride
1-CHLOROHEXADECANE
WQ5ZKS3EK3
DTXCID107580
Hexadecyl chloride
UNII-WQ5ZKS3EK3
NSC43727
EINECS 225-461-7
Hexadecane, 1-chloro-
Tox21_202749
MFCD00000959
AKOS009031446
n-Hexadecyl chloride
NS00045636
1-Chlorohexadecane, 95%
EN300-19716
Q27292774
NCGC00260297-01
1-chloro-hexadecane
chloro hexadecane
1-Chlorohexadecane, purum, >=97.0% (GC)
Cetyl chloride
A827568
DTXSID3027580
CHEMBL3184566
NSC57106
NSC-57106
4860-03-1

MDL Number

MFCD00000959

Customs Code

29031980

FAQ

What is 1-Chlorohexadecane (CAS: 4860-03-1)?

1-Chlorohexadecane (CAS: 4860-03-1) is a chlorinated alkane with the chemical formula C17H35Cl. It is a colorless, oily liquid with low solubility in water and high stability under normal conditions. This compound is commonly used as an intermediate in organic synthesis and is characterized by its long hydrocarbon chain and single chlorine substitution, making it valuable in various chemical applications.

What are the main uses of 1-Chlorohexadecane (CAS: 4860-03-1)?

1-Chlorohexadecane (CAS: 4860-03-1) is primarily used in pharmaceuticals as a precursor for drug synthesis, in industrial applications as a lubricant or solvent, and in research for studying chemical reactions. It also serves as a component in specialty coatings and may find use in polymer science due to its hydrophobic properties and reactivity.

Is 1-Chlorohexadecane (CAS: 4860-03-1) safe?

1-Chlorohexadecane (CAS: 4860-03-1) is generally considered low toxicity, but it should be handled with proper safety precautions. Prolonged skin contact or inhalation may cause irritation, so gloves and ventilation are recommended. It is not classified as a hazardous substance under standard regulations, but adherence to OSHA and EPA guidelines is advised for safe handling.

How should 1-Chlorohexadecane (CAS: 4860-03-1) be stored?

1-Chlorohexadecane (CAS: 4860-03-1) should be stored in a cool, dry place (20-25°C), away from direct light and heat sources. Keep in a sealed, airtight container made of glass or HDPE to prevent contamination. Ensure storage conditions maintain stability and avoid exposure to incompatible materials to preserve its chemical integrity.