4-Chlorobutyl acetate

Base Information

Chemical Name:4-Chlorobutyl acetate
CAS No.:6962-92-1
Molecular Formula:C6H11ClO2
Molecular Weight:150.605
Hs Code.:2915907098
European Community (EC) Number:230-158-8
NSC Number:54074,53492
DSSTox Substance ID:DTXSID20884344
Nikkaji Number:J35.904A
Wikidata:Q72517637
Mol file:6962-92-1.mol

Synonyms:4-Chlorobutyl acetate;6962-92-1;1-Acetoxy-4-chlorobutane;4-chlorobutylacetate;4-Chloro-n-butyl acetate;1-Chloro-4-acetoxybutane;1-BUTANOL, 4-CHLORO-, ACETATE;4-Chloro-1-butanol acetate;4-Chlorbut-1-ylacetat;delta-Chlorobutyl acetate;1-Butanol, 4-chloro-, 1-acetate;NSC 53492;NSC 54074;4-Chlorbut-1-ylacetat [German];EINECS 230-158-8;BRN 1749681;AI3-16503;Acetic Acid 4-Chlorobutyl Ester;acetic acid 4-chloro-butyl ester;.omega.-Chlorobutyl acetate;4-02-00-00147 (Beilstein Handbook Reference);.delta.-Chlorobutyl acetate;4-Chlorobutyl acetate, 98%;SCHEMBL1270067;Acetic acid=4-chlorobutyl ester;PYLDCZJUHYVOAF-UHFFFAOYSA-;DTXSID20884344;NSC53492;NSC54074;MFCD00001013;NSC-53492;NSC-54074;AKOS006221691;CS-W010967;FS-4206;LS-46464;A1098;FT-0607276;EN300-66013;H10679;A836572;W-104612;F0001-1810

Suppliers and Price of 4-Chlorobutyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Alfa Aesar
4-Chlorobutyl acetate, 98%
25g
$ 35.60

Alfa Aesar
4-Chlorobutyl acetate, 98%
100g
$ 89.80

Alfa Aesar
4-Chlorobutyl acetate, 98%
500g
$ 362.00

Ambeed
4-Chlorobutyl acetate 98%
500g
$ 220.00

Ambeed
4-Chlorobutyl acetate 98%
100g
$ 51.00

Ambeed
4-Chlorobutyl acetate 98%
5g
$ 6.00

Ambeed
4-Chlorobutyl acetate 98%
10g
$ 9.00

Ambeed
4-Chlorobutyl acetate 98%
25g
$ 15.00

American Custom Chemicals Corporation
4-CHLOROBUTYL ACETATE 95.00%
1G
$ 129.15

American Custom Chemicals Corporation
4-CHLOROBUTYL ACETATE 95.00%
2.5G
$ 983.88

Total 59 raw suppliers

Chemical Property of 4-Chlorobutyl acetate

Chemical Property:

Appearance/Colour:clear colorless liquid
Vapor Pressure:0.0146mmHg at 25°C
Refractive Index:n20/D 1.434(lit.)
Boiling Point:194.9 °C at 760 mmHg
Flash Point:64.4 °C
PSA：26.30000
Density:1.057 g/cm³
LogP:1.56850
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
Water Solubility.:inmisceable
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:150.0447573
Heavy Atom Count:9
Complexity:83.1

Purity/Quality:

99%, ^*data from raw suppliers

4-Chlorobutyl acetate, 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-22
Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)OCCCCCl
Uses 4-Chlorobutyl Acetate is a reagent used in the synthesis of novel cyclic ADP ribose derivatives. Also used in the synthesis of a transient receptor potential melastatin 2 antagonist involved in insulin secretion.

Technology Process of 4-Chlorobutyl acetate

There total 26 articles about 4-Chlorobutyl acetate 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: 98.0%

: 109-99-9,24979-97-3,77392-70-2
tetrahydrofuran

: 75-36-5
acetyl chloride

: 6962-92-1
4-Chlorobutyl acetate

Guidance literature:: With [(IPr=S)BiCl₃]*CHCl₃; In dichloromethane; at 20 ℃; for 15h; Reagent/catalyst; regioselective reaction;
DOI:10.1039/c4ra17144f

Reference yield: 92.0%

: 35435-68-8
4-acetoxy-1-butanol

: 6962-92-1
4-Chlorobutyl acetate

Guidance literature:: With (chloro-phenylthio-methylene)dimethylammonium chloride; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1016/S0040-4039(00)00940-0