3,4-Dihydroxy-5-nitrobenzaldehyde

Base Information

Chemical Name:3,4-Dihydroxy-5-nitrobenzaldehyde
CAS No.:116313-85-0
Molecular Formula:C7H5NO5
Molecular Weight:183.12
Hs Code.:2913000090
European Community (EC) Number:441-810-8,601-421-8
UNII:34J6743XV2
DSSTox Substance ID:DTXSID60151345
Nikkaji Number:J472.275B
Wikidata:Q72494658
ChEMBL ID:CHEMBL1244
Mol file:116313-85-0.mol

Synonyms:3,4-dihydroxy-5-nitrobenzaldehyde;DHNB compound

Suppliers and Price of 3,4-Dihydroxy-5-nitrobenzaldehyde

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

TRC
3,4-Dihydroxy-5-nitrobenzaldehyde
10g
$ 95.00

TCI Chemical
3,4-Dihydroxy-5-nitrobenzaldehyde >98.0%(GC)
25g
$ 144.00

Crysdot
3,4-Dihydroxy-5-nitrobenzaldehdye 97%
100g
$ 105.00

ChemScene
3,4-Dihydroxy-5-nitrobenzaldehdye 99.72%
100g
$ 69.00

Chemenu
3,4-Dihydroxy-5-nitrobenzaldehdye 95+%
1000g
$ 200.00

Chemcia Scientific
3,4-Dihydroxy-5-Nitrobenzaldehyde 97%
10 G
$ 175.00

Chemcia Scientific
3,4-Dihydroxy-5-Nitrobenzaldehyde 97%
5 G
$ 95.00

Biosynth Carbosynth
3,4-Dihydroxy-5-nitrobenzaldehyde
100 g
$ 65.00

Biosynth Carbosynth
3,4-Dihydroxy-5-nitrobenzaldehyde
250 g
$ 125.00

Ambeed
3,4-Dihydroxy-5-nitrobenzaldehdye 97%
500g
$ 237.00

Total 141 raw suppliers

Chemical Property of 3,4-Dihydroxy-5-nitrobenzaldehyde

Chemical Property:

Appearance/Colour:yellow color crystalline powder.
Vapor Pressure:0.000319mmHg at 25°C
Melting Point:147 °C
Refractive Index:1.718
Boiling Point:310.9 °C at 760 mmHg
PKA:4.78±0.38(Predicted)
Flash Point:141.1 °C
PSA：103.35000
Density:1.667 g/cm³
LogP:1.34170
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Solubility.:DMSO
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:183.01677226
Heavy Atom Count:13
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydroxy-5-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25-36-43
Safety Statements: 26-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O
Uses 3,4-Dihydroxy-5-nitrobenzaldehyde (Entacapone EP Impurity C) is an Entacapone (E558500) impurity. Entacapone (E558500) impurity.

Technology Process of 3,4-Dihydroxy-5-nitrobenzaldehyde

There total 5 articles about 3,4-Dihydroxy-5-nitrobenzaldehyde 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%

: 6635-20-7
isonitrovanillin

: 116313-85-0
3,4-dihydroxy-5-nitrobenzaldehyde

Guidance literature:: With hydrogen bromide; acetic acid; In water; at 110 ℃; for 39h;
DOI:10.1021/acs.jmedchem.7b01438

Reference yield:

: 6635-20-7
isonitrovanillin

: 7440-44-0
pyrographite

: 116313-85-0
3,4-dihydroxy-5-nitrobenzaldehyde

Guidance literature:: With acetic acid; In conc. hydrobromic acid; water;

Reference yield:

: 121-33-5,8014-42-4
vanillin

: 116313-85-0
3,4-dihydroxy-5-nitrobenzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether; mixture of gaseous nitrogen oxides

2: fuming hydrochloric acid / 140 °C

With hydrogenchloride; diethyl ether; mixture of gaseous nitrogen oxides;