3-Nitrobenzyl benzoate

Base Information

Chemical Name:3-Nitrobenzyl benzoate
CAS No.:38612-16-7
Molecular Formula:C14H11NO4
Molecular Weight:257.246
Hs Code.:2916310090
UNII:4E93JJ9EK3
DSSTox Substance ID:DTXSID10191933
Nikkaji Number:J504.924E
Wikidata:Q63396057
ChEMBL ID:CHEMBL450030
Mol file:38612-16-7.mol

Synonyms:3-Nitrobenzyl benzoate;m-Nitrobenzyl benzoate;38612-16-7;Benzenemethanol, 3-nitro-, benzoate (ester);CHEMBL450030;3-Nitrobenzenemethanol butyrate;CCRIS 7973;4E93JJ9EK3;DTXSID10191933;BDBM50479146;AKOS003650837;Benzenemethanol, 3-nitro-, 1-benzoate;SR-01000263509;SR-01000263509-1;Q63396057

Suppliers and Price of 3-Nitrobenzyl benzoate

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

American Custom Chemicals Corporation
3-NITROBENZYL BENZOATE 95.00%
5MG
$ 504.41

Total 3 raw suppliers

Chemical Property of 3-Nitrobenzyl benzoate

Chemical Property:

Vapor Pressure:5.37E-07mmHg at 25°C
Boiling Point:412°Cat760mmHg
Flash Point:183.3°C
PSA：72.12000
Density:1.287g/cm³
LogP:3.47500
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:257.06880783
Heavy Atom Count:19
Complexity:320

Purity/Quality:

99% ^*data from raw suppliers

3-NITROBENZYL BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 3-Nitrobenzyl benzoate

There total 8 articles about 3-Nitrobenzyl benzoate 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: 100.0%

: 98-88-4
benzoyl chloride

: 121-92-6
3-nitrobenzoic acid

: 38612-16-7
Benzoeseure-(3-nitrobenzylester)

Guidance literature:: With pyridine; at 0 ℃; for 1.5h;
DOI:10.1016/j.bmc.2008.03.056

Reference yield: 95.0%

: 62673-14-7
trimethyl(3-nitrobenzyloxy)silane

: 93-97-0
benzoic acid anhydride

: 38612-16-7
Benzoeseure-(3-nitrobenzylester)

Guidance literature:: bismuth(lll) trifluoromethanesulfonate; In acetonitrile; for 0.75h; Heating;
DOI:10.1007/s706-002-8249-1

Reference yield: 85.0%

: 619-25-0
3-Nitrobenzyl alcohol

: 65-85-0,8013-63-6
benzoic acid

: 38612-16-7
Benzoeseure-(3-nitrobenzylester)

Guidance literature:: benzoic acid; With 1,1'-carbonyldiimidazole; for 0.0833333h; Milling; Green chemistry;

3-Nitrobenzyl alcohol; for 0.166667h; Milling; Green chemistry;
DOI:10.1002/chem.201501325