1-Chlorododecane

Base Information

• Chemical Name: 1-Chlorododecane
• CAS No.: 112-52-7
• Molecular Formula: C12H25Cl
• Molecular Weight: 204.784
• Hs Code.: 2903.19
• European Community (EC) Number: 203-981-5
• NSC Number: 57107
• UN Number: 3265
• UNII: WE8O8J0UTK
• DSSTox Substance ID: DTXSID0025492
• Nikkaji Number: J375A
• Wikidata: Q24736563
• ChEMBL ID: CHEMBL1472384
• Mol file: 112-52-7.mol

Synonyms:1-CHLORODODECANE;Lauryl chloride;112-52-7;Dodecyl chloride;n-Dodecyl chloride;Dodecane, 1-chloro-;laurylchloride;1-chloro-dodecane;Dodecane, chloro-;CCRIS 5810;EINECS 203-981-5;UNII-WE8O8J0UTK;NSC 57107;WE8O8J0UTK;DTXSID0025492;NSC-57107;DTXCID805492;CAS-112-52-7;C12H25Cl;1-chloranyldodecane;MFCD00013688;N-LAURYL CHLORIDE;DODECANE,1-CHLORO;1-DODECYL CHLORIDE;n-C12H25Cl;SCHEMBL16168;CHEMBL1472384;NSC57107;Tox21_201790;Tox21_303224;LS-554;1-Chlorododecane, >=97.0% (GC);1-Chlorododecane, >=99.5% (GC);AKOS009156635;CS-W013184;NCGC00091867-01;NCGC00091867-02;NCGC00257206-01;NCGC00259339-01;AS-76619;FT-0627729;EN300-83200;E75855;A802592;J-002789;Q24736563

Chemical Property of 1-Chlorododecane

Chemical Property:

• Appearance/Colour: Clear colorless oily liquid
• Vapor Pressure: 0.0199mmHg at 25°C
• Melting Point: -9.3 °C
• Refractive Index: n20/D 1.443
• Boiling Point: 260.4 °C at 760 mmHg
• Flash Point: 104.5 °C
• PSA: 0.00000
• Density: 0.87 g/cm³
• LogP: 5.14610
• Storage Temp.: Store below +30°C.
• Solubility.: <0.007g/l
• Water Solubility.: 0.0068 g/L (20 ºC)
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 204.1644785
• Heavy Atom Count: 13
• Complexity: 81.2
• Transport DOT Label: Corrosive

Purity/Quality:

99.0% ^*data from raw suppliers

1-Chlorododecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,Xi
• Hazard Codes: Xn,N,Xi
• Statements: 40-50/53-38-66
• Safety Statements: 24-36/37-60-61-37-46

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCCCCCCl
• Uses: 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. Barchlor(R) 12 is used as a chemical intermediate. Barchlor(R) 12S is used as a chemical intermediate.

Technology Process of 1-Chlorododecane

There total 40 articles about 1-Chlorododecane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.2%

2-(dodecylthio)benzonitrile → 1,2-benzisothiazolin-3-one (2634-33-5) + 1-chlorododecane (112-52-7)

Guidance literature:

With sulfuryl dichloride; water; In chlorobenzene; at 20 - 65 ℃; for 3h; Reagent/catalyst;

Reference yield: 97.0%

1-dodecyl alcohol (112-53-8) → 1-chlorododecane (112-52-7)

Guidance literature:

With hydrogenchloride; cetyltrimethylammonim bromide; for 16h; Heating;

DOI:10.1055/s-1988-27732

Reference yield: 95.0%

C15H32NO(1+)*Cl(1-) → 1-chlorododecane (112-52-7)

Guidance literature:

at 60 ℃; for 2h;

DOI:10.1021/acscatal.0c03348

upstream raw materials:

dodecane

ethene

1-dodecyl alcohol

1-Dodecanesulfonyl chloride

Downstream raw materials:

2-dodecyl-isoquinolinium; chloride

N-Dodecylnicotinamide chloride

N-dodecyl-o-anisidine

N-dodecyl-4-methylbenzenamine

Refernces

• 1、 Turro, Nicholas J.,Fehlner, James R.,Hessler, Diane P.,Welsh, Kevin M.,Ruderman, Warren,et al.. "Photochlorination of n-Alkanes Adsorbed on Pentasil Zeolites". . p. 3731 - 3735. Retrieved 1988.
• 2、 Li, Xiang,Jin, Jianbo,Chen, Pinhong,Liu, Guosheng. "Catalytic remote hydrohalogenation of internal alkenes". . p. 425 - 432. Retrieved 2022/02/07.
• 3、 Hilt, Gerhard,Huy, Peter H.,Kohlmeyer, Corinna,Sch?fer, André. "Formamide-Catalyzed Nucleophilic Substitutions: Mechanistic Insight and Rationalization of Catalytic Activity". . p. 11567 - 11577. Retrieved 2020/11/17.