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6152-67-6 molecular structure
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sodium 4-(phenylamino)benzene-1-sulfonate

ChemBase ID: 103643
Molecular Formular: C12H10NNaO3S
Molecular Mass: 271.26747
Monoisotopic Mass: 271.02790847
SMILES and InChIs

SMILES:
[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1
Canonical SMILES:
[O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1.[Na+]
InChI:
InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1
InChIKey:
DGXTZMPQSMIFEC-UHFFFAOYSA-M

Cite this record

CBID:103643 http://www.chembase.cn/molecule-103643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 4-(phenylamino)benzene-1-sulfonate
IUPAC Traditional name
sodium 4-(phenylamino)benzenesulfonate
potassium 4-(phenylamino)benzenesulfonate
Synonyms
Diphenylamine-4-sulfonic acid sodium salt
Sodium diphenylamine-4-sulfonate
p-DIPHENYLAMINESULFONIC ACID SODIUM SALT
p-DIPHENYLAMINE SULFONIC ACID SODIUM SALT
Sodium diphenylamine-4-sulfonate
4-(Phenylamino)benzenesulfonic acid sodium salt
DIPHENYLAMINE-4-SULFONIC ACID, ACS
Sodium diphenylamine-4-sulfonate, 0.005M solution in water
Sodium diphenylamine-4-sulfonate, ACS
Sodium 4-(phenylamino)benzenesulfonate
sodium 4-(phenylamino)benzene-1-sulfonate
4-(苯氨基)苯磺酸 钠盐
二苯胺-4-磺酸 钠盐
二苯胺-4-磺酸钠
二苯基氨基-4-磺酸钠, 0.005M水溶液
二苯胺-4-磺酸钠, ACS
CAS Number
6152-67-6
EC Number
228-165-6
MDL Number
MFCD00036468
PubChem SID
162092411
24859967
24854595
PubChem CID
517002

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.1855903  H Acceptors
H Donor LogD (pH = 5.5) 0.21769214 
LogD (pH = 7.4) 0.21767968  Log P 0.9796707 
Molar Refractivity 64.045 cm3 Polarizability 25.54941 Å3
Polar Surface Area 69.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Powder expand Show data source
Melting Point
200°C expand Show data source
300 - 302°C expand Show data source
Hydrophobicity(logP)
1.219 expand Show data source
Storage Condition
Room Temperature (15-30°C) 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 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
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Concentration
0.005M solution in water expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
indicator for the determination of the redox potential expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
passes test for indicator expand Show data source
passes test for sensitivity expand Show data source
Quality
E0 in sulfuric acid 1 mol/l = +0,83 volt, rH = 27-29 expand Show data source
Empirical Formula (Hill Notation)
C12H10NNaO3S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152519 external link
ACS Reagent Grade
Sodium Salt
MP Biomedicals - 05225898 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05212686 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 33150 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 242969 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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