1,3-Propanediol, bis(4-nitrobenzoate)

Base Information

Chemical Name:1,3-Propanediol, bis(4-nitrobenzoate)
CAS No.:57609-63-9
Molecular Formula:C17H14 N2 O8
Molecular Weight:374.307
Hs Code.:
NSC Number:61629
DSSTox Substance ID:DTXSID3069198
Nikkaji Number:J429.349E
Wikidata:Q81996016
Mol file:57609-63-9.mol

Synonyms:1,3-Propanediol, bis(4-nitrobenzoate);57609-63-9;C17H14N2O8;1,3-Propanediol di-p-nitrobenzoate;1,3-Propanediol, 1,3-bis(4-nitrobenzoate);NSC61629;DTXSID3069198;SCHEMBL11309248;NSC 61629;NSC-61629;C17-H14-N2-O8;Bis(4-nitrobenzoic acid)1,3-propanediyl ester;3-[(4-Nitrobenzoyl)oxy]propyl 4-nitrobenzoate #

Suppliers and Price of 1,3-Propanediol, bis(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 5 raw suppliers

Chemical Property of 1,3-Propanediol, bis(4-nitrobenzoate)

Chemical Property:

Vapor Pressure:1.02E-12mmHg at 25°C
Boiling Point:563.4°Cat760mmHg
Flash Point:238.8°C
PSA：144.24000
Density:1.405g/cm³
LogP:3.95330
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:374.07501541
Heavy Atom Count:27
Complexity:492

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)OCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,3-Propanediol, bis(4-nitrobenzoate)

There total 3 articles about 1,3-Propanediol, bis(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: 83.0%