3-Chloropropyl 4-nitrobenzoate

Base Information

Chemical Name:3-Chloropropyl 4-nitrobenzoate
CAS No.:58168-11-9
Molecular Formula:C10H10 Cl N O4
Molecular Weight:243.64
Hs Code.:
NSC Number:74790
DSSTox Substance ID:DTXSID30291308
Wikidata:Q82029226
Mol file:58168-11-9.mol

Synonyms:3-chloropropyl 4-nitrobenzoate;58168-11-9;NSC74790;DTXSID30291308;NSC-74790

Suppliers and Price of 3-Chloropropyl 4-nitrobenzoate

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

Total 6 raw suppliers

Chemical Property of 3-Chloropropyl 4-nitrobenzoate

Chemical Property:

Vapor Pressure:2.96E-06mmHg at 25°C
Boiling Point:388.9°Cat760mmHg
Flash Point:189°C
PSA：72.12000
Density:1.327g/cm³
LogP:2.90370
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:243.0298355
Heavy Atom Count:16
Complexity:246

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)OCCCCl)[N+](=O)[O-]

Technology Process of 3-Chloropropyl 4-nitrobenzoate

There total 3 articles about 3-Chloropropyl 4-nitrobenzoate 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: 59.0%

: 555-16-8
4-nitrobenzaldehdye

: 627-30-5
1-chloro-3-hydroxypropane

: 58168-11-9
4-nitro-benzoic acid-(3-chloro-propyl ester)

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; vitamin B₁; at 80 ℃; for 24h;
DOI:10.1039/d1ra05134b

Reference yield: 56.0%

: 555-16-8
4-nitrobenzaldehdye

: 109-70-6
1.3-chlorobromopropane

: 23574-41-6
3-bromopropane-4-nitrobenzoate

: 58168-11-9
4-nitro-benzoic acid-(3-chloro-propyl ester)

Guidance literature:: With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride; In tetrahydrofuran; at 50 ℃; for 36h; under 760.051 Torr;
DOI:10.1002/ejoc.201100937