1,1-Dichlorobutane

Base Information

• Chemical Name: 1,1-Dichlorobutane
• CAS No.: 541-33-3
• Molecular Formula: C4H8 Cl2
• Molecular Weight: 127.014
• European Community (EC) Number: 208-775-9
• UNII: H297I90DAD
• DSSTox Substance ID: DTXSID70862152
• Nikkaji Number: J6.393B
• Wikidata: Q27279550
• Mol file: 541-33-3.mol

Synonyms:1,1-DICHLOROBUTANE;Butane, 1,1-dichloro-;541-33-3;Butylidene chloride;26761-81-9;EINECS 208-775-9;BRN 1731178;UNII-H297I90DAD;H297I90DAD;4-01-00-00250 (Beilstein Handbook Reference);1,1-dichloro-butane;SCHEMBL21799;BUTYLIDENE CHLORIDE [MI];DTXSID70862152;AKOS006229461;LS-45686;LS-193067;FT-0702886;Q27279550

Chemical Property of 1,1-Dichlorobutane

Chemical Property:

• Melting Point: -70.34°C (estimate)
• Refractive Index: nD25 1.4305: Brown, Ash, J. Am. Chem. Soc. 77, 4019 (1955)
• Boiling Point: 114.8°Cat760mmHg
• Flash Point: 18.3°C
• PSA: 0.00000
• Density: 0.83g/cm³
• LogP: 2.59020
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.0003056
• Heavy Atom Count: 6
• Complexity: 26.7

Purity/Quality:

98%min ^*data from raw suppliers

1,1-DICHLOROBUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(Cl)Cl

Technology Process of 1,1-Dichlorobutane

There total 20 articles about 1,1-Dichlorobutane 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: 31.0%

butyraldehyde (123-72-8) → 1,1-dichlorobutane (541-33-3)

Guidance literature:

With phosphorus pentachloride; In dichloromethane;

DOI:10.1039/b108663d

Reference yield: 9.0%

1,1-dichloro-1-nitrosobutane (109777-25-5) + recorcinol (108-46-3) → 1,1-dichlorobutane (541-33-3) + 3-hydroxy-N-(2,4-dihydroxyphenyl)-1,4-quinone imine

Guidance literature:

In diethyl ether; for 240h;

DOI:10.1007/BF01435820

Reference yield:

n-Butyl chloride (109-69-3) → 1,1-dichlorobutane (541-33-3) + 1,3-dichlorobutane (1190-22-3) + 1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With sulfuryl dichloride; zeolite NaX; for 2h; Heating; Irradiation;

DOI:10.1021/jo00305a023

upstream raw materials:

n-Butyl chloride

tetraethyllead(IV)

butyraldehyde

ethanol

Downstream raw materials:

(Z)-1-chloro-1-butene

1(E)-chloro-1-butene

1,1-diphenylbutane

butyric acid N'-phenyl-hydrazide

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