ChemicalBook--->CAS DataBase List--->112-52-7

112-52-7

112-52-7 Structure

112-52-7 Structure
IdentificationMore
[Name]

1-Chlorododecane
[CAS]

112-52-7
[Synonyms]

1-CHLORODODECANE
DODECANOYL CHLORIDE
DODECYL CHLORIDE
LAURYL CHLORIDE
N-DODECYL CHLORIDE
1-Chlordodecan
1-Chlor-dodecan
1-chloro-dodecan
dodecance,1-chloro-
Dodecane,1-chloro-
Lanrylchloride
Laurylchlorid
n-Dodecylchlorid
1-CHLORODODECANE(LAURYL CHLORIDE)
Dodecyl chloride, Lauryl chloride
Barchlor(R) 12
Barchlor(R) 12S
[EINECS(EC#)]

203-981-5
[Molecular Formula]

C12H25Cl
[MDL Number]

MFCD00013688
[Molecular Weight]

204.78
[MOL File]

112-52-7.mol
Chemical PropertiesBack Directory
[Appearance]

Liquid
[Melting point ]

-9.3 °C
[Boiling point ]

260 °C
[density ]

0.867 g/mL at 20 °C(lit.)
[vapor pressure ]

55.2-316.9hPa at 162.35-216.25℃
[refractive index ]

n20/D 1.443
[Fp ]

130 °C
[storage temp. ]

Store below +30°C.
[solubility ]

<0.007g/l
[form ]

Liquid
[color ]

Clear colorless
[Water Solubility ]

0.0068 g/L (20 ºC)
[FreezingPoint ]

-9.3℃
[Usage]

Barchlor(R) 12S is used as a chemical intermediate.
[BRN ]

635778
[Henry's Law Constant]

2.3×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
[Dielectric constant]

4.1699999999999999
[InChI]

1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
[InChIKey]

YAYNEUUHHLGGAH-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCl
[LogP]

6.49 at 25℃
[CAS DataBase Reference]

112-52-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Dodecane, 1-chloro-(112-52-7)
[EPA Substance Registry System]

112-52-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H410
[Precautionary statements ]

P273-P302+P352
[Hazard Codes ]

Xn,N,Xi
[Risk Statements ]

R40:Limited evidence of a carcinogenic effect.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R38:Irritating to the skin.
[Safety Statements ]

S24:Avoid contact with skin .
S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37:Wear suitable gloves .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[Autoignition Temperature]

190°C
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29031980
[HS Code ]

29189090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Dodecanol
[Preparation Products]

Sodium dodecylbenzenesulphonate-->Dodecylpyridinium chloride-->N-Methyldodecylamine-->1-Dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide-->N-Lauryldiethanolamine-->DODECYL ACETATE-->Dodecyltrichlorosilane-->1-Iodododecane-->Dodecyl methyl sulfide-->Didodecyl dimethyl ammonium chloride-->Dodecylbenzene
Hazard InformationBack Directory
[General Description]

Clear colorless oily liquid.
[Reactivity Profile]

LAURYL CHLORIDE(112-52-7) may be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

Liquid
[Uses]

1-Chlorododecane is used as a reagent in the chemical modification of zein to reduce the brittleness of zein films. It also used as a solvent and in the manufacture of photographic chemicals, pharmaceuticals, organometallic compounds, and surfactants.
[Application]

Lauroyl chloride is an important organic intermediate and is widely used in the synthesis of surfactants, and it is also used in the synthesis of rubber scorch retardant, medicine and pesticide.
[Preparation]

500 ml round-bottomed flask fitted with a double surface condenser and charged with 109.5 ml (or 179 grams) of freshly distilled thionyl chloride, and 46.5 grams of n-dodecyl alcohol (lauryl alcohol) are slowly added during 2 hours. When all the n-dodecyl alcohol has been added, the reaction mixture is refluxed for 6 hours. The obtained reaction mixture is distilled and the excess of thionyl chloride passes over below 80° C, followed by a small fraction up to 120° C. Finally, the crude 1-chlorododecane distills at 252-257° C, mainly at 255-257° C. The purified 1-chlorododecane is washed with water, 10% sodium carbonate solution, twice with water and dried with anhydrous calcium chloride. 1-Chlorododecane is additionally purified by distillation through an efficient fractionating column. Pure n-hexyl chloride passes over at 116.5° C/5 mm. The yield is 35 grams.
[Synthesis Reference(s)]

Synthesis, p. 746, 1980 DOI: 10.1055/s-1980-29199
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Chlorododecane(112-52-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1-Chlorododecane(112-52-7)MS
1-Chlorododecane(112-52-7)1HNMR
1-Chlorododecane(112-52-7)13CNMR
1-Chlorododecane(112-52-7)IR1
1-Chlorododecane(112-52-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Lauryl chloride, 99%(112-52-7)
[Sigma Aldrich]

112-52-7(sigmaaldrich)
[TCI AMERICA]

1-Chlorododecane,>97.0%(GC)(112-52-7)
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