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148-01-6 molecular structure
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2-methyl-3,5-dinitrobenzamide

ChemBase ID: 130262
Molecular Formular: C8H7N3O5
Molecular Mass: 225.15828
Monoisotopic Mass: 225.03857034
SMILES and InChIs

SMILES:
O=[N+]([O-])c1cc(cc(C(=O)N)c1C)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C
InChI:
InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKey:
ZEFNOZRLAWVAQF-UHFFFAOYSA-N

Cite this record

CBID:130262 http://www.chembase.cn/molecule-130262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-3,5-dinitrobenzamide
IUPAC Traditional name
2-methyl-3,5-dinitrobenzamide
Synonyms
3,5-Dinitro-o-toluamide
Dinitolmide (Zoalene)
3,5-Dinitro-o-toluamide
Dinitolmide
Zoalene
2-Methyl-3,5-dinitrobenzamide
3,5-Dinitro-2-methylbenzamide
Coccidin
Coccidine A
Coccidot
Salcostat
Zoamix
二硝托胺
CAS Number
148-01-6
EC Number
205-706-4
MDL Number
MFCD00072065
PubChem SID
162224542
24874412
PubChem CID
3092
ATC CODE
QP51AX12
CHEMBL
472565
Chemspider ID
2982
Wikipedia Title
Zoalene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.372127  H Acceptors
H Donor LogD (pH = 5.5) 1.2172757 
LogD (pH = 7.4) 1.21728  Log P 1.2172759 
Molar Refractivity 52.8186 cm3 Polarizability 18.932793 Å3
Polar Surface Area 129.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
170-180 °C(lit.) expand Show data source
RTECS
XS4200000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Target
Others expand Show data source
Purity
98% expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(O2N)2C6H2(CH3)CONH2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 524417 external link
Packaging
50 g in glass bottle
Toronto Research Chemicals - Z584000 external link
A fodder additive for poultry used to prevent coccidiosis infections. Antiprotozoan drug.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Morrison, W.D. et al.: Poult. Sci., 46, 391 (1967)
  • • Davis, J.L. et al.: Vet. Pharmacol. Therap., 9, 1145 (1967)
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PATENTS

PATENTS

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INTERNET

INTERNET

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