Basic information
- CAS
86-66-8- Standard SMILES
O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1- InChIKey
ZPBSAMLXSQCSOX-UHFFFAOYSA-N- Molecular formula
- C10H8O9S3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 367.93304535
Overview
Naphthalene-1,3,6-trisulfonic acid is a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid
- IUPAC
- naphthalene-1,3,6-trisulfonic acid
- English name
- Naphtalene-1,3,6-trisulfonic Acid
- Molecular formula
- C10H8O9S3
- Molecular weight
- 368.36
Names & synonyms
naphthalene-1,3,6-trisulfonic acid1,3,6-Naphthalenetrisulfonic acidNaphthalene-1,3,6-trisulphonic acidCHEBI:3291666WF59G54QEINECS 201-690-8DTXSID9058945RefChem:72375DTXCID4048511201-690-886-66-8Naphtalene-1,3,6-trisulfonic acid
Show more names
2,5,7-Naphthalenetrisulfonic acid
SCHEMBL305166UNII-66WF59G54QSCHEMBL1966166SCHEMBL6595683SCHEMBL7045255SCHEMBL7577043CHEMBL1160117SCHEMBL29431498
Database identifiers
- CAS
86-66-8- PubChem CID
- 4438
- DTXSID
DTXSID9058945- ChEMBL
CHEMBL1160117- ChEBI
CHEBI:32916- UNII
- 66WF59G54Q
- EC Number
- 201-690-8
- Nikkaji
- J170.925I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 720
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.919 · 1.919±0.06 g/cm3(Predicted)
- pka
- -0.76 · -0.76±0.40(Predicted)
- FDA UNII
- 66 WF59G54Q · 66WF59G54Q
- EPA Substance Registry System
- 1 · 1,3,6-Naphthalenetrisulfonic acid (86-66-8)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 310 · P310-P260-P280
- TSCA
- TSCA listed
- HS Code
- 2904100090 · 2904100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2904100090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P310-P260-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,6-Naphthalenetrisulfonic acid: ACTIVE
Applications
UsesThe total reaction mixture is nitrated, and the resulting 8-nitro derivative is reduced to give 1-aminonaphthalene-3,6,8-trisulfonic acid (Koch acid), the key intermediate in the production of the important H acid. The crude trisodium salt may be precipitated from the quenched mixture after dilution to 75 % acid strength to give a product (Azoguard) used as a diazo stabilizer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Additional notes
ChEBI: Naphthalene-1,3,6-trisulfonic acid is a naphthalenesulfonic acid.
Related reactions
3 records
Compound notes
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