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605-69-6 molecular structure
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2,4-dinitronaphthalen-1-ol

ChemBase ID: 103385
Molecular Formular: C10H6N2O5
Molecular Mass: 234.16504
Monoisotopic Mass: 234.0276713
SMILES and InChIs

SMILES:
Oc1c2ccccc2c(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c2c1cccc2)O
InChI:
InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
InChIKey:
FFRBMBIXVSCUFS-UHFFFAOYSA-N

Cite this record

CBID:103385 http://www.chembase.cn/molecule-103385.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dinitronaphthalen-1-ol
IUPAC Traditional name
golden yellow
Synonyms
2,4-Dinitro-1-naphthol
Martius Yellow
2,4-Dinitro-1-naphthol
MARTIUS YELLOW
MANCHESTER YELLOW
2,4-Dinitro-1-Napthol
Acid Yellow 24
C.I. 10315
Golden Yellow
Manchester Yellow
Napthol Yellow
Naphthylene Yellow
Saffron Yellow
MARTIUS YELLOW
2,4-Dinitronaphthol
Martinsgelb
2,4-二硝基-1-萘酚
2,4-二硝基-1-萘酚
马休黄
CAS Number
605-69-6
EC Number
210-093-1
MDL Number
MFCD00065352
Beilstein Number
2057462
PubChem SID
24863520
162090590
24866378
PubChem CID
11802
Wikipedia Title
Martius_yellow
Color Index Number
10315

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.0908628  H Acceptors
H Donor LogD (pH = 5.5) 1.225862 
LogD (pH = 7.4) 0.6186376  Log P 2.5391257 
Molar Refractivity 57.1301 cm3 Polarizability 22.233208 Å3
Polar Surface Area 106.51 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
127-132 °C expand Show data source
130-132°C (decomposes) expand Show data source
130-133 °C(lit.) expand Show data source
140°C dec. expand Show data source
Absorption Wavelength
λmax 430 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
QL3850000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥90% (HPLC) expand Show data source
95% expand Show data source
Dye Content ~90% expand Show data source
Grade
technical expand Show data source
Compostion
Dye content, 85% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Contains
~15% water as stabilizer expand Show data source
Quality
moistened with water expand Show data source
Linear Formula
(O2N)2C10H5OH expand Show data source
Empirical Formula (Hill Notation)
C10H6N2O5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211947 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02151588 external link
C.I. 10315
Dye Content: Approx. 90%
Sigma Aldrich - 377767 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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