Home > Compound List > Compound details
116-63-2 molecular structure
click picture or here to close

4-amino-3-hydroxynaphthalene-1-sulfonic acid

ChemBase ID: 53481
Molecular Formular: C10H9NO4S
Molecular Mass: 239.24776
Monoisotopic Mass: 239.02522877
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(c(c2c1cccc2)N)O)O
Canonical SMILES:
Nc1c(O)cc(c2c1cccc2)S(=O)(=O)O
InChI:
InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKey:
RXCMFQDTWCCLBL-UHFFFAOYSA-N

Cite this record

CBID:53481 http://www.chembase.cn/molecule-53481.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-3-hydroxynaphthalene-1-sulfonic acid
IUPAC Traditional name
C10H9NO4S
1-amino-4-sulfo-2-naphthol
Synonyms
4-Amino-3-Hydroxy-1-Naphdialene Sulfonic Acid
1-AMINO-2-NAPHTHOL-4-SULFONIC ACID
4-amino-3-hydroxynaphthalene-1-sulfonic acid
4-Amino-3-hydroxy-1-naphthalenesulfonic acid
1-Amino-2-naphthol-4-sulfonic acid
4-Amino-3-hydroxy-1-naphthalenesulfonic acid
1-氨基-2-萘酚-4-磺酸
4-氨基-3-羟基-1-萘磺酸
CAS Number
116-63-2
EC Number
204-147-3
MDL Number
MFCD00004019
Beilstein Number
2697469
Merck Index
14454
PubChem SID
24846220
24864776
162058244
24846935
PubChem CID
8316

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.9533923  H Acceptors
H Donor LogD (pH = 5.5) -1.2375256 
LogD (pH = 7.4) -1.3663718  Log P 0.7887645 
Molar Refractivity 59.812 cm3 Polarizability 24.166992 Å3
Polar Surface Area 100.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
290 °C (dec.)(lit.) expand Show data source
295°C expand Show data source
ca 295°C dec. expand Show data source
Storage Condition
Room Temperature (15-30°C), Protect from light expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
QK1292000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1759 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
36/37/38 expand Show data source
R:34 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
S:26-45-36/37/39 expand Show data source
EU Classification
C10 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥95.0% expand Show data source
≥95.0% (CHN) expand Show data source
≥97.0% g/mL expand Show data source
≥98% expand Show data source
95% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
ACS reagent expand Show data source
JIS special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.1% expand Show data source
Antion Traces
sulfate (SO42-): ≤0.2% expand Show data source
Quality
for spectrophotometric det. of Si expand Show data source
Linear Formula
H2NC10H5(OH)SO3H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150102 external link
Off-white to lavender crystals
Sigma Aldrich - 109754 external link
Packaging
100 g in poly bottle
Sigma Aldrich - 08751 external link
Other Notes
Reagent for the spectrophotometric det. of silicon1
Sigma Aldrich - 398969 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Key component of the Fiske and Subbarow Reducer for colorimetric determination of phosphate: J. Biol. Chem.,66, 375 (1925); 234, 466 (1959). Reagent for spectrophotometric determination of Si: Microchem. J., 15, 441 (1970).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle