4-Chloro-1-butanol

Base Information

• Chemical Name: 4-Chloro-1-butanol
• CAS No.: 928-51-8
• Molecular Formula: C4H9ClO
• Molecular Weight: 108.568
• Hs Code.: 29055910
• European Community (EC) Number: 213-175-5
• NSC Number: 10810
• UNII: 42EI3I5AY0
• DSSTox Substance ID: DTXSID2061301
• Nikkaji Number: J35.120B
• Wikidata: Q229943
• Metabolomics Workbench ID: 127592
• ChEMBL ID: CHEMBL2260957
• Mol file: 928-51-8.mol

Synonyms:4-chloro-1-butanol

Chemical Property of 4-Chloro-1-butanol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.296mmHg at 25°C
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 178.5 °C at 760 mmHg
• PKA: 15.01±0.10(Predicted)
• Flash Point: 77.2 °C
• PSA: 20.23000
• Density: 1.049 g/cm³
• LogP: 0.99770
• Storage Temp.: 2-8°C
• Solubility.: Soluble in methanol, chloroform, and dimethyl sufoxide.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 108.0341926
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-1-butanol 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C, F
• Hazard Codes: Xn,C,F
• Statements: 10-22-36/37/38-20/21/22-34-40
• Safety Statements: 23-24/25-36/37/39-26-16-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(CCCl)CO
• Uses: Tetramethylene chlorohydrin is used inorganic synthesis. 4-Chloro-1-butanol is employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique. 4-Chloro-1-butanol was employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique.

Technology Process of 4-Chloro-1-butanol

There total 22 articles about 4-Chloro-1-butanol 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: 86.0%

1-chloro-4-tetrahydropyranyloxybutane (41302-05-0) → 4-Chloro-1-butanol (928-51-8)

Guidance literature:

ammonium cerium(IV) nitrate; In alkaline aq. solution; acetonitrile; at 70 ℃; for 2h; pH=8;

DOI:10.1016/S0040-4039(99)01043-6

Reference yield: 85.4%

4-Chlorobutyl acetate (6962-92-1) → 4-Chloro-1-butanol (928-51-8)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 4h; Heating;

DOI:10.1021/j100032a022

Reference yield: 82.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) → 4-Chloro-1-butanol (928-51-8)

Guidance literature:

With hydrogenchloride; for 5h; Heating;

upstream raw materials:

oxirane

chloroethane

tetrahydrofuran

Butane-1,4-diol

Downstream raw materials:

1-chloro-4-tetrahydropyranyloxybutane

4-chlorobutyl chloroformate

bis(4-chlorobutoxy)methane

4-(4-phenyl-piperazin-1-yl)-butan-1-ol

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