Home > Compound List > Compound details
7153-21-1 molecular structure
click picture or here to close

disodium 3,6-dihydroxynaphthalene-2,7-disulfonate

ChemBase ID: 146082
Molecular Formular: C10H6Na2O8S2
Molecular Mass: 364.25938
Monoisotopic Mass: 363.92994771
SMILES and InChIs

SMILES:
c1c2cc(c(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
Canonical SMILES:
Oc1cc2cc(O)c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C10H8O8S2.2Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKey:
TVCXTRSVWGUSPY-UHFFFAOYSA-L

Cite this record

CBID:146082 http://www.chembase.cn/molecule-146082.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 3,6-dihydroxynaphthalene-2,7-disulfonate
IUPAC Traditional name
disodium 3,6-dihydroxynaphthalene-2,7-disulfonate
Synonyms
3,6-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt
disodium 3,6-dihydroxyNaphthalene-2,7-disulphonate
3,6-二羟基萘-2,7-二磺酸 二钠盐
CAS Number
7153-21-1
EC Number
230-499-2
MDL Number
MFCD00004090
PubChem SID
162240281
24853933
PubChem CID
81587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 81587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.999522  H Acceptors
H Donor LogD (pH = 5.5) -2.7353914 
LogD (pH = 7.4) -2.7354748  Log P 2.0174053 
Molar Refractivity 65.4716 cm3 Polarizability 28.22456 Å3
Polar Surface Area 154.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 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
≥92% expand Show data source
97% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
(HO)2C10H4(SO3Na)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 232823 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle