Basic information
- CAS
134-54-3- Standard SMILES
Nc1cc(S(=O)(=O)O)cc2ccccc12- InChIKey
HXXMONHYPKNZHE-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Names & identifiers
- Preferred name
- 4-Aminonaphthalene-2-sulphonic acid
- IUPAC
- 4-aminonaphthalene-2-sulfonic acid
- English name
- 4-aminonaphthalene-2-sulphonic acid
- Molecular formula
- C10H9NO3S
- Molecular weight
- 223.25
Names & synonyms
4-aminonaphthalene-2-sulfonic acid134-54-34-Aminonaphthalene-2-sulphonic acid4-Amino-2-naphthalenesulfonic acidEINECS 205-146-02-Naphthalenesulfonicacid, 4-amino-1-Naphthylamine, 3-sulfo-SCHEMBL342847SCHEMBL3428481-Aminonaphthalin-3-sulfosaureCHEMBL3140104DTXSID20158451
Show more names
HXXMONHYPKNZHE-UHFFFAOYSA-NNSC370461-Aminonaphthalene-3-sulphonic acidNSC 37046NSC-370462-Naphthalenesulfonic acid, 4-amino-DS-004291NS00024347
Database identifiers
- CAS
134-54-3- PubChem CID
- 67255
- DTXSID
DTXSID20158451- ChEMBL
CHEMBL3140104- EC Number
- 205-146-0
- Nikkaji
- J173.021E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- -0.59 · -0.59±0.40(Predicted)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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