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6373-73-5 molecular structure
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1-N-(2,4-dinitrophenyl)benzene-1,4-diamine

ChemBase ID: 157012
Molecular Formular: C12H10N4O4
Molecular Mass: 274.2322
Monoisotopic Mass: 274.07020482
SMILES and InChIs

SMILES:
c1cc(ccc1N)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
Nc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
InChIKey:
JMDHCJDATBJFJS-UHFFFAOYSA-N

Cite this record

CBID:157012 http://www.chembase.cn/molecule-157012.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N-(2,4-dinitrophenyl)benzene-1,4-diamine
IUPAC Traditional name
1-N-(2,4-dinitrophenyl)benzene-1,4-diamine
Synonyms
N-(2,4-Dinitrophenyl)-p-phenylenediamine
N-(2,4-Dinitrophenyl)-1,4-phenylenediamine
Disperse Yellow 9
N-(2,4-二硝基苯基)-1,4-苯亚二胺
N-(2,4-二硝基苯基)对苯二胺
分散黄 9
CAS Number
6373-73-5
EC Number
228-919-4
MDL Number
MFCD00007851
PubChem SID
162251149
24864003
24852724
PubChem CID
4267574
Color Index Number
10375

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4267574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.408985  H Acceptors
H Donor LogD (pH = 5.5) 3.691832 
LogD (pH = 7.4) 3.7632225  Log P 3.764214 
Molar Refractivity 73.894 cm3 Polarizability 26.010237 Å3
Polar Surface Area 129.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
187-190 °C(lit.) expand Show data source
Absorption Wavelength
λmax 359 nm expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥96.0% (HPLC) expand Show data source
Grade
analytical standard expand Show data source
Compostion
Dye content, 85% expand Show data source
Linear Formula
(O2N)2C6H3NHC6H4NH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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