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633-96-5 molecular structure
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sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate

ChemBase ID: 105964
Molecular Formular: C16H11N2NaO4S
Molecular Mass: 350.32431
Monoisotopic Mass: 350.03372212
SMILES and InChIs

SMILES:
[Na+].Oc1ccc2ccccc2c1/N=N/c1ccc(cc1)S(=O)(=O)[O-]
Canonical SMILES:
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)[O-])cccc2.[Na+]
InChI:
InChI=1S/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
InChIKey:
CQPFMGBJSMSXLP-UHFFFAOYSA-M

Cite this record

CBID:105964 http://www.chembase.cn/molecule-105964.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate
sodium 4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate
IUPAC Traditional name
sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate
sodium 4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate
Synonyms
2-naphthol orange
Orange Ie
CI 15510
Acid orange 7
Acid Orange 7
4-(2-Hydroxy-1-naphthylazo)benzanosulfonic acid
ORANGE II SODIUM SALT
Orange II sodium salt
4-(2-Hydroxy-1-naphthylazo)benzenesulfonic acid sodium salt
Acid Orange A
Orange II
Tropaeolin 000 No. 2
4-(2-羟基-1-萘偶氮)苯磺酸 钠盐
橙黄 II
酸性二号橙
酸性橙 7
金莲橙 OOO-2
金橙 II 钠盐
CAS Number
633-96-5
EC Number
211-199-0
MDL Number
MFCD00011657
Beilstein Number
3898201
PubChem SID
24886822
24851680
162092700
PubChem CID
23682006
Chemspider ID
21171709
Unique Ingredient Identifier
Q1LIY3BO0U
Wikipedia Title
Acid_orange_7
Color Index Number
15510

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.2710867  H Acceptors
H Donor LogD (pH = 5.5) 1.8695605 
LogD (pH = 7.4) 1.8695431  Log P 2.1887527 
Molar Refractivity 88.3089 cm3 Polarizability 34.155506 Å3
Polar Surface Area 102.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 483 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
DB7084000 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 expand Show data source
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
Dye Content ~75% expand Show data source
Grade
analytical standard expand Show data source
certified by the Biological Stain Commission expand Show data source
for microscopy (Hist.) expand Show data source
indicator (pH 11.0-13.0) expand Show data source
Compostion
Dye content, ~85% expand Show data source
Dye content, >85% expand Show data source
Certificate of Analysis
Download expand Show data source
Product Line
BioXtra expand Show data source
Empirical Formula (Hill Notation)
C16H11N2NaO4S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195359 external link
C.I. 15510
Sodium Salt
Dye Content: ~75% Reagent for spectrophotometric determination of cationic surfactants.
Sigma Aldrich - O4505 external link
Suitability
Certified as a substitute for methyl orange in the Wilson-Ezrin method for pituitary acidophils; as a counterstain for Heidenhain′s or Weigert′s hematoxylin on paraffin sections; as a substitute for Orange G in Flemming′s triple stain.
Sigma Aldrich - 195235 external link
Packaging
25, 100 g in poly bottle
Suitability
Certified for use in the Wilson-Ezrin method for pituitary acidophils, as a counterstain following Heidenhain′s or Weigert′s hematoxylin on paraffin sections, and as a substitute for orange G in Floemming′s triple stain.
Sigma Aldrich - 75370 external link
Other Notes
Reagent for the extraction and spectrophotomeric determination of cationic surfactants1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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