HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Amino-2-naphthol-4-sulfonic acid
1-AMINO-2-NAPHTHOL-4-SULPHONIC ACID · 1-AMINO-2-HYDROXY-4-NAPHTHALENESULFONIC ACID · 4-AMINO-3-HYDROXY-1-NAPHTHALENESULFONIC ACID · 1,2,4-acid · TIMTEC-BB SBB008870 · 1-Amino-2-naphthol-4 · LABOTEST-BB LT00454379 · 3-Hydroxynaphthionic acid
Identifiers & Physical Properties
| CAS No. | 116-63-2 |
|---|---|
| Molecular formula | C10H9NO4S |
| Average molar mass | 239.25 g/mol |
| Monoisotopic mass | 239.02522877 g/mol |
| SMILES | Nc1c(O)cc(S(=O)(=O)O)c2ccccc12 |
| InChIKey | RXCMFQDTWCCLBL-UHFFFAOYSA-N |
| PubChem CID | 8316 |
| ChEMBL | CHEMBL2312198 |
| ChEBI | CHEBI:19024 |
| EC No. | 204-147-3 |
| DTXSID | DTXSID7059434 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 109 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 350 |
| Chemical classes | Nitrogen Compounds -> Naphthylamines |
| Physical Description | White or grey solidMay turn pink on light exposure (especially if moist)[Merck Index] White or pink powder[Alfa Aesar MSDS] |
| Melting point | 290 °C (dec.)(lit.) |
| Density | 1.4338 (rough estimate) |
| Bulk density | 280kg/m3 |
| Refractive index | 1.6500 (estimate) |
| Storage conditions | Store below +30°C. |
| Solubility | DMSO (Slightly), Methanol (Slightly)insoluble |
| Physical state | Powder |
| pKa (acidity coefficient) | -0.49±0.40(Predicted) |
| Color | White to light pink |
| Merck | 14,454 |
| BRN | 2697469 |
| Stability | Stable. Incompatible with strong bases, acid chlorides, acid anhydrides, strong oxidizing agents. |
| 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 |
| SMILES | Nc1c(O)cc(c2ccccc12)S(O)(=O)=O |
| CAS DataBase Reference | 116-63-2(CAS DataBase Reference) |
| FDA UNII | W46SK3P33G |
| NIST Chemistry Reference | 1-Naphthalenesulfonic acid,4-amino-3-hydroxy-(116-63-2) |
| EPA Substance Registry System | 1-Naphthalenesulfonic acid, 4-amino-3-hydroxy- (116-63-2) |
| UNSPSC Code | 41116105 |
| NACRES | NB.21 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 37/39-26 |
| UN transport number | 3265 |
| Water hazard class (WGK) | 3 |
| RTECS number | QK1292000 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANT |
| Packing group | III |
| Customs code | 29222100 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.WarningH315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-1-Naphthalenesulphonic acid, 4-amino-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin and strong eye irritant[Alfa Aesar MSDS] See 4-Aminophenol hydrochloride. |
| Hazard Classes and Categories | Skin Irrit. 2 (76.9%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | QK1292000 |
| UN transport number | 3265 |
| Customs code | 29222100 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 37/39-26 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4-Amino-3-hydroxy-1-naphthalenesulfonic acid is used as mordant dyes and acid dyes intermediate.
Uses
1-Amino-2-naphthol-4-sulfonic acid can be used in determination of phosphate.