1-Chlorooctane

Basic Information

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CAS Number

111-85-3

Molecular Formula

C8H17Cl

Molecular Weight

148.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−61 °C

Boiling Point

183°C

Water Solubility

0.02 g/L

Solubility

0.02g/l

Refractive Index

n20/D 1.430(lit.)

Vapor Pressure

1 mmHg ( 22.2 °C)

SMILES

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CCCCCCCCCl

InChI

InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

CNDHHGUSRIZDSL-UHFFFAOYSA-N

LogP

3.5857000000000028

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

43.8

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 9 Class 9

Synonyms & References

English

1-Chlorooctane; 1-Octyl chloride; Capryl chloride; NSC 5406; Octyl chloride; n-Octyl chloride
MFCD00001022
AKOS005721018
InChI=1/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H
1-CHLOROOCTANE [HSDB]
1-Chlorooctane, analytical standard
57214-71-8
111-85-3
NCGC00249102-01
EC 203-915-5
Tox21_201715
NCGC00256592-01
Q27276728
W-108666
FT-0607655
Tox21_302948
CAS-111-85-3
CHLOROOCTANE
Octane, 1-chloro-
1-CHLOROOCTANE
HSDB 5551
CHEMBL158445
NSC5406
NCGC00259264-01
NS00006483
n-Octyl chloride
1219803-93-6
F8889-6590
DTXSID0021543
1-Chloro-octane
BP-30110

MDL Number

MFCD00001022

Customs Code

2903199000

FAQ

What is 1-Chlorooctane (CAS: 111-85-3)?

1-Chlorooctane is an organic compound with the chemical formula C8H17Cl. It is a colorless liquid with a mild, characteristic odor. This compound is known for its solubility in organic solvents and is commonly used as a starting material in chemical synthesis. Its molecular structure consists of an octyl group attached to a chlorine atom, making it a versatile intermediate in various industrial and research applications.

What are the main uses of 1-Chlorooctane (CAS: 111-85-3)?

1-Chlorooctane is widely used in the pharmaceutical industry as a solvent and intermediate in drug synthesis. It also finds applications in the production of pesticides, plastics, and other organic chemicals. In research settings, it serves as a reagent for functional group modifications and organic reactions. Additionally, it is used in the formulation of certain specialty chemicals and as a component in some industrial processes.

Is 1-Chlorooctane (CAS: 111-85-3) safe?

1-Chlorooctane is generally considered safe when handled properly, but it may pose health risks if inhaled or ingested. It is important to follow standard safety protocols, including the use of personal protective equipment (PPE), proper通风, and avoiding skin contact. According to OSHA and EPA guidelines, it should be treated as a hazardous material in certain environments. Always adhere to local safety regulations and consult MSDS for detailed information.

How should 1-Chlorooctane (CAS: 111-85-3) be stored?

1-Chlorooctane should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It is recommended to keep it in a sealed, airtight container made of materials compatible with organic solvents, such as glass or high-density polyethylene. The storage temperature should be maintained below 25°C, and humidity levels should be controlled to prevent degradation. Always store it in a location inaccessible to children and in compliance with local chemical storage regulations.