2,4-Dinitrobenzaldehyde - CAS 528-75-6

Name: 2,4-Dinitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027972
Product Name:	2,4-Dinitrobenzaldehyde
CAS:	528-75-6
Synonyms:	2,4-dinitrobenzaldehyde

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Computed Properties

IUPAC Name:	2,4-dinitrobenzaldehyde
Description:	2,4-Dinitrobenzaldehyde (CAS# 528-75-6) is a useful research chemical.
Molecular Weight:	196.12
Molecular Formula:	C7H4N2O5
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
InChI:	InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H
InChI Key:	ZILXIZUBLXVYPI-UHFFFAOYSA-N
Boiling Point:	190 °C (10 mmHg)
Density:	1.571 g/cm³
MDL:	MFCD00013376
LogP:	2.36190

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111517931-A	Method for synthesizing 2, 4-difluorobenzaldehyde by using microchannel reactor	20200610
EP-3808755-A1	Production of fragments of lignin with functional groups	20191014
WO-2021074210-A1	Production of fragments of lignin with functional groups	20191014
DE-102019210983-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2021013420-A1	Increasing the stability of agents for treating keratin material	20190724

PMID	Publication Date	Title	Journal
21577902	20090912	1-[2-(2,4-Dinitro-benzyl-ideneamino)phen-yl]-3-phenyl-thio-urea	Acta crystallographica. Section E, Structure reports online
14985816	20040307	Accurate determinations of the extent to which the SE2' reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti	Organic & biomolecular chemistry
11485461	20010810	Reaction of vinylcarbenoids with benzaldehydes: formation of vinylcarbonyl ylides followed by ring closure to oxiranes and dihydrofurans	The Journal of organic chemistry

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.01202123
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.01202123
Rotatable Bond Count:	1
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6