1-Chloro-1-butene

Base Information

• Chemical Name: 1-Chloro-1-butene
• CAS No.: 7611-87-2
• Molecular Formula: C4H7Cl
• Molecular Weight: 90.5526
• European Community (EC) Number: 224-720-1
• UNII: I7XAM2W0YE
• DSSTox Substance ID: DTXSID6063484,DTXSID001042914
• Nikkaji Number: J65.737I,J88.034E
• Wikidata: Q76306636
• Mol file: 7611-87-2.mol

Synonyms:1-CHLORO-1-BUTENE;1-Butene, 1-chloro-;4461-42-1;(E)-1-chlorobut-1-ene;trans-1-Chloro-1-butene;1-chloro-1-buten;1-Chlorobut-1-ene;7611-87-2;EINECS 224-720-1;I7XAM2W0YE;trans-1-chloro-but-1-ene;UNII-I7XAM2W0YE;(E)-1-chloro-1-butene;DTXSID6063484;1-Butene, 1-chloro-, (E)-;DTXSID001042914;AKOS006273769;LS-46927;A826638

Chemical Property of 1-Chloro-1-butene

Chemical Property:

• Melting Point: -96°C (estimate)
• Refractive Index: 1.4126
• Boiling Point: 68.05°C
• PSA: 0.00000
• Density: 0.9091
• LogP: 2.14890
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 90.0236279
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCl
• Isomeric SMILES: CC/C=C/Cl

Technology Process of 1-Chloro-1-butene

There total 8 articles about 1-Chloro-1-butene 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:

1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) → (Z)-1-chloro-1-butene (7611-86-1) + 1(E)-chloro-1-butene (7611-87-2) + 2-chloro-but-1-ene (2211-70-3)

Guidance literature:

Reference yield:

→ (Z)-1-chloro-1-butene (7611-86-1) + 1(E)-chloro-1-butene (7611-87-2)

Guidance literature:

With potassium hydroxide; In butan-1-ol; Heating;

DOI:10.1021/ja00947a010

Reference yield:

1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) → 1(E)-chloro-1-butene (7611-87-2)

Guidance literature:

With potassium hydroxide; ethanol;

upstream raw materials:

1,1-dichlorobutane

1,1-dichloroethane

(Z)-1-chloro-1-butene

n-Propylchlorocarbene

Downstream raw materials:

propanoic acid methyl ester

14-tetrahydropyranyloxy-2(E)-tetradecene

2-Pentyne

trans-4-phenyl-2-butene

Refernces

• 1、 Ratovelomana, V.,Linstrumelle, G.. "NEW SYNTHESIS OF THE SEX PHEROMONE OF THE EGYPTIAN COTTON LEAFWORM, SPODOPTERA LITTORALIS.". . p. 917 - 924. Retrieved 2007/10/02.