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3118-97-6 molecular structure
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1-[2-(2,4-dimethylphenyl)diazen-1-yl]naphthalen-2-ol

ChemBase ID: 104652
Molecular Formular: C18H16N2O
Molecular Mass: 276.33244
Monoisotopic Mass: 276.12626314
SMILES and InChIs

SMILES:
Cc1cc(C)c(cc1)/N=N/c1c2ccccc2ccc1O
Canonical SMILES:
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2
InChI:
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3
InChIKey:
JBTHDAVBDKKSRW-UHFFFAOYSA-N

Cite this record

CBID:104652 http://www.chembase.cn/molecule-104652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(2,4-dimethylphenyl)diazen-1-yl]naphthalen-2-ol
IUPAC Traditional name
1-[2-(2,4-dimethylphenyl)diazen-1-yl]naphthalen-2-ol
Synonyms
1-(2,4-Xylylazo)-2-naphthol
Sudan II
see text
C.I. 12140
Solvent Orange 7
1-[2,4-Xylylazo]-2-naphthol
SUDAN II
1-(2,4-二甲苯偶氮)-2-萘酚
溶剂橙 7
苏丹 II
苏丹II
CAS Number
3118-97-6
EC Number
221-490-4
MDL Number
MFCD00003896
PubChem SID
24851931
162091834
PubChem CID
5809936
Chemspider ID
13621577
KEGG ID
C19526
Wikipedia Title
Sudan_II
Color Index Number
12140

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.835293  H Acceptors
H Donor LogD (pH = 5.5) 6.0918884 
LogD (pH = 7.4) 6.0918775  Log P 6.0918937 
Molar Refractivity 88.8905 cm3 Polarizability 33.276752 Å3
Polar Surface Area 44.95 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
156-158 °C(lit.) expand Show data source
156–158 °C expand Show data source
156-160°C expand Show data source
Absorption Wavelength
λmax 493 nm expand Show data source
λmax 604 nm (2nd) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
QL5850000 expand Show data source
European Hazard Symbols
X expand Show data source
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
36/37/38-40 expand Show data source
Safety Statements
26 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H351-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
≥96.0% (HPLC) expand Show data source
Grade
analytical standard, for food analysis expand Show data source
Compostion
Dye content, 90% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C18H16N2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204112 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02156703 external link
C.I. 12140
POSSIBLE CARCINOGEN!
Sigma Aldrich - 199656 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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