3,5-Dinitrobenzamide - CAS 121-81-3

Name: 3,5-Dinitrobenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005273
Product Name:	3,5-Dinitrobenzamide
CAS:	121-81-3
Synonyms:	3,5-dinitrobenzamide
Application:	3,5-Dinitrobenzamide is an anti-parasitic agent.

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-dinitrobenzamide
Description:	3,5-Dinitrobenzamide is an anti-parasitic agent.
Molecular Weight:	211.13
Molecular Formula:	C7H5N3O5
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
InChI:	InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
InChI Key:	UUKWKUSGGZNXGA-UHFFFAOYSA-N
Boiling Point:	314.5 °C at 760 mmHg
Purity:	95 %
Density:	1.601 g/cm³
Solubility:	DMSO : ≥ 2 mg/mL
Appearance:	Powder
Storage:	-20 °C Freeze
MDL:	MFCD00007985
LogP:	2.34860
Vapor Pressure:	0.00000016 [mmHg]

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112138540-A	SCR denitration electric heating compensation device	20200911
CN-111763658-A	Hybridoma cell strain secreting anti-dinitrotolamine monoclonal antibody and application thereof	20200708
US-2021322447-A1	Transdermal micro-dosing delivery of psychedelics derivatives	20200416
WO-2021209815-A1	Transdermal micro-dosing delivery of psychedelics derivatives	20200416
WO-2021195661-A1	Anti-viral compounds and methods for administration thereof	20200323

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
21726986	20111015	Highly sensitive voltammetric sensor based on catechol-derivative-multiwall carbon nanotubes for the catalytic determination of captopril in patient human urine samples	Colloids and surfaces. B, Biointerfaces
21391665	20110404	N-H activation in N-nitropropionamide: coordination chemistry of a primary nitroamide	Inorganic chemistry
22439323	20110101	Assessment of diclofenac LC50 reference values in juvenile and embryonic stages of the zebrafish (Danio rerio)	Polish journal of veterinary sciences
19919049	20100302	Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group	Langmuir : the ACS journal of surfaces and colloids

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.02292027
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.02292027
Rotatable Bond Count:	1
Topological Polar Surface Area:	135 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8