1-Chlorobutane

Basic Information

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CAS Number

109-69-3

Molecular Formula

C4H9Cl

Molecular Weight

92.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−123 °C

Boiling Point

77-78 °C

Water Solubility

0.5 g/L (20 ºC)

Solubility

water: soluble0.11g/L at 20°C

Refractive Index

n20/D 1.402(lit.)<br />n20/D 1.402

Vapor Pressure

80.1 mmHg ( 78.4 °C)

SMILES

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CCCCCl

InChI

InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

InChIKey

VFWCMGCRMGJXDK-UHFFFAOYSA-N

LogP

2.0253

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

13.1

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Stability

Stable. Highly flammable. Note low flash point and wide explosion limit range. Incompatible with strong oxidizing agents, strong bases.

Explosive Limit

1.8-10.1%(V)

Toxicity

LD50 orally in rats: 2.67 g/kg (Smyth)

Synonyms & References

English

n-chlorbutane
N-BUTYL CHLORIDE [GREEN BOOK]
DTXSID8020206
AI3-15309
BUTYL CHLORIDE [HSDB]
NCGC00091059-01
normal butyl chloride
n-C4H9Cl
1-Chlorobutane, biotech. grade, for protein sequence analysis, >=99.8%
Butyl chloride
Butyl chloride [NF]
Chlorobutane, 1-
1-Chlorobutane, ReagentPlus(R), 99%
ZP7R667SGD
1-Chlorobutane
CHLOROBUTANES
NSC8419
4-01-00-00246 (Beilstein Handbook Reference)
1-CHLORO-BUTANE
N-BUTYL CHLORIDE
BRN 1730909
N-Propylcarbinyl chloride
n-BuCl
NCGC00258419-01
chlorobutane
InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H
EINECS 203-696-6
HSDB 4167
1-Chlorobutane, HPLC Grade
NS00007880
AKOS000118759

MDL Number

MFCD00001009

Customs Code

29031990

FAQ

What are the physical and chemical properties of 1-Chlorobutane (CAS: 109-69-3)?

1-Chlorobutane (CAS: 109-69-3) is a colorless liquid with a density of 0.87 g/cm³ and a boiling point of 89.7°C. Its molecular weight is 98.56 g/mol. It has limited solubility in water but is highly soluble in organic solvents. Chemically, it is relatively stable but undergoes nucleophilic substitution reactions with strong nucleophiles.

How is 1-Chlorobutane (CAS: 109-69-3) typically synthesized?

1-Chlorobutane can be synthesized via the reaction of butanol with hydrochloric acid. This reaction is typically conducted in the presence of a Lewis acid catalyst like aluminum chloride to improve yield and selectivity. The average yield is around 75-80%.

What industries use 1-Chlorobutane (CAS: 109-69-3)?

1-Chlorobutane (CAS: 109-69-3) is primarily used in the pharmaceutical industry for intermediate synthesis, in the polymer industry as a monomer, and in the chemical industry for various organic reactions. It is also utilized in the production of sensors and electronic components.

What precautions should be taken when handling 1-Chlorobutane (CAS: 109-69-3)?

When handling 1-Chlorobutane (CAS: 109-69-3), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from heat sources. Fume hoods should be used during handling. In case of spillage, neutralize with an appropriate reagent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed recommendations.