1-Bromo-4-chlorobutane

Base Information

• Chemical Name: 1-Bromo-4-chlorobutane
• CAS No.: 6940-78-9
• Molecular Formula: C4H8BrCl
• Molecular Weight: 171.465
• Hs Code.: 2903.40
• European Community (EC) Number: 230-089-3
• NSC Number: 60193
• UNII: 3WY7Z6MQN8
• DSSTox Substance ID: DTXSID1049350
• Nikkaji Number: J29.159E
• Wikidata: Q72452514
• ChEMBL ID: CHEMBL350215
• Mol file: 6940-78-9.mol

Synonyms:1-Bromo-4-chlorobutane;6940-78-9;Butane, 1-bromo-4-chloro-;Tetramethylene chlorobromide;4-Bromo-1-chlorobutane;1-Chloro-4-bromobutane;C4H8BrCl;4-Bromobutyl Chloride;4-Chlorobutyl Bromide;1-Bromo-4-chloro-butane;3WY7Z6MQN8;DTXSID1049350;EINECS 230-089-3;NSC 60193;NSC-60193;1219803-72-1;4-chlorobromobutane;NSC60193;bromo 4 chlorobutane;bromo-4-chlorobutane;MFCD00001010;4-Chloro-bromobutane;Bromo-4-chloro-butane;1-bromo 4-chorobutane;l-bromo-4-chlorobutane;1-bromo 4-chlorobutane;4-chloro-1-bromobutane;1-bromo-4-chloro butane;4-chloro-1-bromo-butane;UNII-3WY7Z6MQN8;SCHEMBL187403;CHEMBL350215;1-Bromo-4-chlorobutane, 99%;DTXCID4029309;TETRAMETHYLENECHLOROBROMIDE;Tox21_202866;AKOS009159270;CS-W017647;FS-4201;NCGC00260412-01;CAS-6940-78-9;B1345;FT-0607499;EN300-31202;F11271;Q-200112;F0001-1805

Chemical Property of 1-Bromo-4-chlorobutane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 2.59mmHg at 25°C
• Melting Point: 96-97 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• Refractive Index: n20/D 1.4875(lit.)
• Boiling Point: 164.3 °C at 760 mmHg
• Flash Point: 60 °C
• PSA: 0.00000
• Density: 1.439 g/cm³
• LogP: 2.40030
• Storage Temp.: Store below +30°C.
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 169.94979
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

99.0%min. ^*data from raw suppliers

1-Bromo-4-chlorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCBr)CCl

Technology Process of 1-Bromo-4-chlorobutane

There total 12 articles about 1-Bromo-4-chlorobutane 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: 77.5%

→ 4-chlorobutyl bromide (6940-78-9)

Guidance literature:

Reference yield: 63.0%

→ 4-chlorobutyl bromide (6940-78-9) + γ-[N-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl-N'-piperazinyl]-10-butyl-2-trifluoromethyl-phenothiazine hydrochloride

Guidance literature:

Reference yield: 44.0%

4-Chloro-1-butanol (928-51-8) → 4-chlorobutyl bromide (6940-78-9)

Guidance literature:

With phosphorus tribromide; In pyridine; 0 deg C, 1 h; r.t., 3 h;

DOI:10.1021/j100032a022

upstream raw materials:

tetrahydrofuran

1-bromo-butane

4-Chloro-1-butanol

bis-(4-chlorobutyl)ether

Downstream raw materials:

4-(methoxy)-1-chlorobutane

4-chlorobutyl thiocyanic ester

1,4-bis(thiocyanato)butane

2-(4-chlorobutyl)isoindoline-1,3-dione