1,2-Dichlorobutane

Base Information

• Chemical Name: 1,2-Dichlorobutane
• CAS No.: 616-21-7
• Deprecated CAS: 35346-39-5
• Molecular Formula: C₄H₈Cl₂
• Molecular Weight: 127.014
• European Community (EC) Number: 210-469-5
• NSC Number: 93880
• UNII: 45N8M9T967
• DSSTox Substance ID: DTXSID8027244
• Nikkaji Number: J490A
• Wikidata: Q27258857
• ChEMBL ID: CHEMBL3181977
• Mol file: 616-21-7.mol

Synonyms:1,2-DICHLOROBUTANE;616-21-7;Butane, 1,2-dichloro-;HSDB 5717;EINECS 210-469-5;NSC 93880;DTXSID8027244;UNII-45N8M9T967;NSC-93880;45N8M9T967;NSC93880;Butane,2-dichloro-;1,2-dichloro-butane;1,2-Butylene chloride;1,2-Dichlorobutane, 98%;SCHEMBL809265;DL-1,2-DICHLOROBUTANE;DTXCID907244;CHEMBL3181977;PQBOTZNYFQWRHU-UHFFFAOYSA-;1,2-DICHLOROBUTANE [HSDB];Tox21_200147;MFCD00013676;(+/-)-1,2-DICHLOROBUTANE;AKOS006220523;NCGC00248540-01;NCGC00257701-01;CAS-616-21-7;LS-195267;D0347;FT-0606384;FT-0611933;D89631;Q27258857

Chemical Property of 1,2-Dichlorobutane

Chemical Property:

• Vapor Pressure: 28 mm Hg ( 32 °C)
• Melting Point: -70.34°C (estimate)
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 125 °C(lit.)
• Flash Point: 80 °F
• PSA: 0.00000
• Density: 1.112 g/mL at 25 °C(lit.)
• LogP: 2.24260
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.0003056
• Heavy Atom Count: 6
• Complexity: 28.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Dichlorobutane >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 9-16-23-26-33-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCC(CCl)Cl
• Uses: 1,2-Dichlorobutane was used to evaluate temperature-composition phase diagrams of binary mixtures composed of a haloalkane dissolved in either 1-ethyl-3-methylimidazolium ethylsulfate or 1-ethyl-3-methylimidazolium ethylsulfonate.

Technology Process of 1,2-Dichlorobutane

There total 28 articles about 1,2-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:

1-butylene (106-98-9,9003-28-5) + chlorine (7782-50-5) → 1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,1,2-tetrachloro-butane (39966-95-5)

Guidance literature:

at 20 - 83 ℃;

Reference yield:

ethene (74-85-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) + 1,2-dichlorohexane (2162-92-7) + 1,2-dichlorooctane (21948-46-9,72778-28-0) + 1,2-dichlorodecane (34619-32-4) + ethylbenzene (100-41-4,27536-89-6) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With dibenzoyl peroxide; at 100 ℃; Product distribution; Mechanism;

Reference yield:

1-butylene (106-98-9,9003-28-5) → 1,2-dichlorobutane (616-21-7,130232-87-0,130232-88-1) + 2-bromo-1-chlorobutane (79504-01-1) + 1,2-dibromobutane (533-98-2,130232-89-2,130232-90-5) + 1-bromo-2-chlorobutane (108200-18-6)

Guidance literature:

With bromine chloride; In tetrachloromethane; dichloromethane; at 0 ℃; Product distribution; other reagent;

DOI:10.1246/bcsj.59.2547

upstream raw materials:

1-butylene

s-butyl chloride

n-Butyl chloride

tetraethyllead(IV)

Downstream raw materials:

buta-1,3-diene

maleic acid

1,2-dihydroxybutane

1(E)-chloro-1-butene

Refernces

• 1、 Delaude, Lionel,Laszlo, Pierre. "Versatility of Zeolites as Catalysts for Ring or Side-Chain Aromatic Chlorinations by Sulfuryl Chloride". . p. 5260 - 5269. Retrieved 2007/10/02.
• 2、 Aver'yanov, V. A.,Ruban, S. G.,Klykova, M. B.,Golubev, V. E.. "THE LONG-RANGE ACTION OF THE POLAR EFFECT OF SUBSTITUENTS ON THE ABSTRACTION OF HYDROGEN IN FREE-RADICAL CHLORINATION PROCESSES". . p. 435 - 439. Retrieved 2007/10/02.