n-BUTYL CHLORIDE

PRODUCT IDENTIFICATION

CAS NO 109-69-3

n-BUTYL CHLORIDE

EINECS NO. 203-696-6
FORMULA CH3(CH2)3Cl
MOL WT. 92.57
H.S. CODE 2903.19.6050

TOXICITY

Oral rat LD50: 2670 mg/kg
SYNONYMS 1-Butyl chloride; n--Propylcarbinyl chloride;
Chlorure De Butyle (French); N-propylcarbinyl Chloride;

SMILES

ClCCCC

CLASSIFICATION

Organohalide

EXTRA NOTES

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE Clear liquid with unpleasant odor
MELTING POINT -123 C
BOILING POINT

78 - 79 C

SPECIFIC GRAVITY 0.886
SOLUBILITY IN WATER Insoluble
pH

 

VAPOR DENSITY 3.2
AUTOIGNITION

 

NFPA RATINGS Health: 2; Flammability: 3; Reactivity: 1

REFRACTIVE INDEX

1.4018

FLASH POINT

-6 C

STABILITY Stable in ordinary conditions in sealed containers.
EXTERNAL LINKS & GENERAL DESCRIPTION

USA.gov - n-Butyl chloride

Wikipedia Linking - 1-Chlorobutane

Google Scholar Search - n-Butyl chloride

U.S. National Library of Medicine - n-Butyl chloride

PubChem Compound Summary - n-Butyl chloride

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  n-Butyl chloride

ChEBI (http://www.ebi.ac.uk/chebi/) -  n-Butyl chloride

NCBI (http://www.ncbi.nlm.nih.gov/) -  n-Butyl chloride

Material Safety Data Sheet - n-Butyl chloride

EPA - Substance Registry Services - n-Butyl chloride

Local:
Halogenoalkanes, also known as haloalkanes or alkyl halides, are organic compounds in which one or more hydrogen atoms in an alkane have been replaced by halogen atoms, fluorine, chlorine, bromine or iodine. In carbon-halogen bond, halogens have significantly greater electronegativities than carbon except iodine. In result, this functional group is polarized so that the carbon is electrophilic and the halogen is nucleophilic. Halogenoalkanes are can be classified depending on the halogen atom position on the chain of carbon atoms. The carbon which is attached with the halogen atom is linked up with only one other alkyl group in primary halogenoalkanes, whereas directly linked up with two and three other alkyl groups in secondary halogenoalkanes and tertiary halogenoalkanes respectively. In some case, primary halogenoalkanes are counted even though there are no alkyl groups attached to the carbon with the halogen on it. Three characteristics provide important influences on the chemical behavior of halogenoalkanes, these are electronegativity, covalent bond strength and the relative stability of the corresponding halide anions.  Fluoroalkanes have the strongest of the carbon-halogen covalent bonds so that they are unreactive. This is stronger single bond than a carbon-carbon bond. The carbon-chlorine covalent bond is slightly weaker than a carbon-carbon bond, and the bonds to the other halogens are weaker. The stability may be estimated from the relative acidities of the H-X acids. All the hydrohalic acids are very strong, but with small differences in the direction HCl < HBr < HI, with the exception of HF. Halogenoarenes, also called haloarene, or aryl Halide, are  an organic compound in which one or more hydrogen atoms in an aromatic ring have been replaced by halogen atoms. The Haloarenes exhibit many differences compare to haloalkanes in the method of preparation and their chemical and phisical properties. Haloalkanes are used in as refrigerants, solvents, blowing agents, aerosol propellants, fire extinguishing media , and in semiconductor device fabrication. One of big consumption of halogenoalkanes (properly speaking, halogenoalkenes) is as a raw material to prepare plastics such as PVC [poly(chloroethene)] from chloroethene and PTFE [poly(tetrafluoroethene)] from tetrafluoroethene. Halogenoalkanes and halogenoarenes react with lots of compounds resulting in a wide range of different target substances. They are useful intermediates in making other organic compounds.  

  • Summary of substitution and elimination reaction based on alkyl group structure
Alkyl Halides

SN1 and E1

SN2 and E2

Primary (RCH2X) Neither SN1 nor E1 occur both SN2 and E2 will occur
(S
N2 preferred. E2 preferred when sterically hindered base is used)
Secondary (R2CHX) will occur slowly in high dielectric ionizing solvents
( S
N1 preferred)
both SN2 and E2 will occur
(S
N2 preferred if base is weaker than acetate, pKa = 4.8, E2 preferred if base is strong)
Tertiary (R3CX) both SN1 and E1 will occur
(S
N1 preferred)
No SN2 will occur
E2 will dominate if base is strong

Allyl (H2C=CHCH2X)

will occur slowly in high dielectric ionizing solvents Rapid SN2 for primary and secondary halides but slow for tertiary. E2 when nucleophile is basic.

Benzyl (C6H5CH2X)

will occur slowly in high dielectric ionizing solvents Rapid SN2 for primary and secondary halides but slow for tertiary. E2 when nucleophile is basic.
  • SN1 and SN2 reaction order based on alkyl group structure
    • SN2 :  CH3X (100%) > RCH2X > R2CHX > R3CX
    • SN1 :  CH3X < RCH2X < R2CHX < R3CX (100%)
  • Nucleophilicity order
    • F- < Cl- < Br- < I-  In a protic solvent which decrease SN2 rate due to solvating nucleophile
    • F- > Cl- > Br- > I- In a polar aprotic solvent which increase SN2 reaction due to no solvating nucleophile
    • F- > Cl- > Br- > I-  SN2 in the gas phase
(Both protic and aprotic polar solvent  enhance SN1 due to the stabilization of the carbocation intermediate)
  • Leaving group Among halogens: I > Br > Cl > F

n-Butyl ChloridE (also called 1-Chlorobutane) is a clear, colorless , flammable liquid belonging to the family of organic halogen compounds. It is hard to dissolve in water, but can be mixed with alcohol and ether. This chemical is on the special health hazard substance list because it is flammable and gives off irritating or toxic fumes (or gases) in a fire. It is used as a solvent, as a medicine to control worms, for organometallic compound synthesis and to make other chemicals. n-Butyl chloride is used as an alkylating agent in organosynthesis, organometallic compounds manufacturing and as a solvent. n-Butyl chloride is also used as an antihelmintic in veterinary medicine.

SALES SPECIFICATION

APPEARANCE

Clear liquid with unpleasant odor
ASSAY

99.0% min

MOISTURE

0.1% max

INDIVIDUAL IMPURITY

0.25% max ( as Dibutyl Ether)

BOILING POINT

77 - 79 C

TRANSPORTATION
PACKING 175kgs in drum, , Iso-Tank
HAZARD CLASS 3 (Pacing group : II)
UN NO. 1127
SAFETY INFORMATION

HAZARD OVERVIEW

GHS (Globally Harmonised System) Classification: Flammable liquids. Acute toxicity (Oral). Hazard statements: Highly flammable liquid and vapour. May be harmful if swallowed.

GHS

 

SIGNAL WORD

Danger

PICTOGRAMS

PICTOGRAM_GHS02_flame.jpg

HAZARD STATEMENTS

H225-H303

P STATEMENTS

P210

EC DIRECTIVES

 

HAZARD CODES

CODE_F_F+_highly_flammable_extreamly_flammable.gif

RISK PHRASES

11

SAFETY PHRASES

9-16-29




PRICE INFORMATION

 

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