5-Chloropentanenitrile

Basic Information

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CAS Number

6280-87-1

Molecular Formula

C5H8ClN

Molecular Weight

106.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

118°C/28mmHg

Density

1.045 g/mL at 25 °C

Refractive Index

n20/D 1.446(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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C(CCCl)CC#N

InChI

InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2

InChIKey

JSAWFGSXRPCFSW-UHFFFAOYSA-N

LogP

2.415400000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

71.4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NSC 6156
FT-0620344
SCHEMBL851045
NSC-6156
4-Chlorobutyl Cyanide
6280-87-1
A834006
C1421
AI3-20151
Pentanenitrile, 5-chloro-
MFCD00001977
AM20100537
.delta.-Chlorovaleronitrile
5-Chlorovaleronitrile, 98%
EINECS 228-481-4
4-Chlorobutyl Cyanide 5-Chloropentanenitrile
DTXSID20211898
Valeronitrile, 5-chloro-
5-Chloropentanenitrile
5-Chlorovaleronitrile
GS-3070
EN300-21147
CS-W022361
F8889-5790
SY004990
5-chlorovaIeronitrile
AKOS000121428
5-Chlorovaleronitrile, purum, >=95.0% (GC)
5-Chloro-n-valeronitrile
InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
NS00035172

MDL Number

MFCD00001977

Customs Code

29269095

FAQ

What regulatory guidelines apply to 5-Chloropentanenitrile (CAS: 6280-87-1)?

5-Chloropentanenitrile (CAS: 6280-87-1) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It falls under the category of toxic substances, requiring appropriate safety data sheets (SDS) and labels. Under the REACH regulations in the EU, it is important to identify and document the substance's properties and any potential risks. Additionally, the FDA and EPA have specific requirements for the handling, storage, and disposal of this compound, particularly concerning its environmental impact and health risks.

Are there alternatives to 5-Chloropentanenitrile (CAS: 6280-87-1) in synthesis?

There are several alternatives to 5-Chloropentanenitrile (CAS: 6280-87-1) in synthesis, including other nitriles with different functional groups, such as acetonitrile or benzonitrile. Isomers like 4-chloropentanenitrile or 6-chlorohexanenitrile can also be used. Common alternative reagents include chloroacetonitrile or chlorobenzonitrile, which can serve similar functional requirements in various reactions.

What is the market or research trend for 5-Chloropentanenitrile (CAS: 6280-87-1)?

The market for 5-Chloropentanenitrile (CAS: 6280-87-1) is driven by its use in the synthesis of pharmaceuticals and agrochemicals. Research trends focus on its role as a key intermediate for developing new drugs and pesticides. Recent studies have also explored its potential in polymer chemistry and as a precursor for other organic compounds. However, due to its toxicity, there is increasing interest in safer alternatives and more sustainable synthesis methods.

How should waste containing 5-Chloropentanenitrile (CAS: 6280-87-1) be handled?

Waste containing 5-Chloropentanenitrile (CAS: 6280-87-1) should be collected in appropriate containers labeled as hazardous. It should be stored in a secure, well-ventilated area, away from incompatible materials such as oxidizers and acids. Safe disposal methods include incineration with proper emissions controls or professional waste disposal services. Environmental precautions include monitoring soil and water contamination, and adhering to local and national regulations for hazardous waste management.