CAS 14193-18-1 | Benzaldehyde, 3,5-dinitro- | CAS Number 14193-18-1

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14193-18-1 | Benzaldehyde, 3,5-dinitro-

CAS No: 14193-18-1 Catalog No: AG001HEN MDL No:MFCD04971227

Product Description

Catalog Number:

AG001HEN

Chemical Name:

Benzaldehyde, 3,5-dinitro-

CAS Number:

14193-18-1

Molecular Formula:

C7H4N2O5

Molecular Weight:

196.1171

MDL Number:

MFCD04971227

IUPAC Name:

3,5-dinitrobenzaldehyde

InChI:

InChI=1S/C7H4N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-4H

InChI Key:

YCTNWTBGSOCMRO-UHFFFAOYSA-N

SMILES:

O=Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.118g/mol

Monoisotopic Mass:

196.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Focused review: agmatine in fermented foods.	Frontiers in microbiology 20120101
Study of stereoselective interactions of carbamoylated quinine and quinidine with 3,5-dinitrobenzoyl α-amino acids using VCD spectroscopy in the region of C−H stretching vibrations.	Chirality 20110401
Polyamines in foods: development of a food database.	Food & nutrition research 20110101
A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide.	Acta crystallographica. Section E, Structure reports online 20090701
(1RS,4RS,5RS)-Methyl 2-(3,5-dinitro-benzo-yl)-2-oxa-3-aza-bicyclo-[3.3.0]oct-7-ene-4-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20090501
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.	International journal of nanomedicine 20070901
Preparation of a mercaptopropyl bonded silica intermediate in supercritical carbon dioxide: synthesis, characterisation and chromatography of a quinine based chiral stationary phase.	Journal of chromatography. A 20070713
[Preparation and evaluation of 3,5-dinitrobenzoyl-bonded silica gel stationary phase for high performance liquid chromatography].	Se pu = Chinese journal of chromatography 20050301
Efficient resolution of racemic 1,1'-bi-2-naphthol with chiral selectors identified from a small library.	Journal of chromatography. A 20050107
Determination of azide as the 3,5-dinitrobenzoyl derivative by capillary electrophoresis.	Journal of chromatography. A 20040806
Retention of 3,5-dinitrobenzoyl derivatives of linear alcohol polyethoxylates in reversed-phase liquid chromatographic system with acetonitrile-water mobile phase.	Journal of chromatography. A 20031222
Micro-HPLC and standard-size HPLC for the separation of peptide stereoisomers employing an ion-exchange principle.	Journal of pharmaceutical and biomedical analysis 20030115
Enantiomeric separation of diuretics on a novel Pirkle-type chiral stationary phase.	Biomedical chromatography : BMC 20021001
Enantiomeric separation of N-protected amino acids by non-aqueous capillary electrophoresis with dimeric forms of quinine and quinidine derivatives serving as chiral selectors.	Journal of chromatography. A 20020301
Solid-phase synthesis of chiral stationary phases based on 2,4,5,6-tetrachloro-1,3-dicyanobenzene derivatives spaced from N-3,5-dinitrobenzoyl alpha-amino acids: comparative study of their resolution efficacy.	Chirality 20010601
Synthesis of branched polysaccharides by polymerization of 6-O-t-butyldimethylsilyl-D-glucal through stereoregular haloglycosylation.	Carbohydrate letters 20010101
Immobilization of difunctional building blocks on hydroxysuccinimide activated silica: versatile in situ preparation of chiral stationary phases.	Chirality 20010101